[4-(1-carbamothioylsulfanylpropan-2-yl)-3-naphthalen-1-yl-3-nitro-cyclohexyl]methyl carbamodithioate; 1-methyl-4-propan-2-yl-cyclohexane

Systemtic Name: [4-(1-carbamothioylsulfanylpropan-2-yl)-3-naphthalen-1-yl-3-nitro-cyclohexyl]methyl carbamodithioate; 1-methyl-4-propan-2-yl-cyclohexane Openeye Name: [4-(2-carbamothioylsulfanyl-1-methyl-ethyl)-3-(1-naphthyl)-3-nitro-cyclohexyl]methyl carbamodithioate; 1-isopropyl-4-methyl-cyclohexane CAS Name: carbamodithioic acid [4-[1-(carbamothioylthio)propan-2-yl]-3-(1-naphthalenyl)-3-nitrocyclohexyl]methyl ester; 1-methyl-4-propan-2-ylcyclohexane IUPAC Name: [4-(1-carbamothioylsulfanylpropan-2-yl)-3-naphthalen-1-yl-3-nitrocyclohexyl]methyl carbamodithioate; 1-methyl-4-propan-2-ylcyclohexane Traditional Name: carbamodithioic acid [4-[1-methyl-2-(thiocarbamoylthio)ethyl]-3-(1-naphthyl)-3-nitro-cyclohexyl]methyl ester; 1-isopropyl-4-methyl-cyclohexane Formula: C62H107N3O2S4 MolecularWeight: 1054.79188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(C)C.CC1CCC(CC1)C(C)C.CC1CCC(CC1)C(C)C.CC1CCC(CC1)C(C)C.CC(CSC(=S)N)C1CCC(CC1(C2=CC=CC3=CC=CC=C32)[N+](=O)[O-])CSC(=S)N

Isomeric SMILES

CC1CCC(CC1)C(C)C.CC1CCC(CC1)C(C)C.CC1CCC(CC1)C(C)C.CC1CCC(CC1)C(C)C.CC(CSC(=S)N)C1CCC(CC1(C2=CC=CC3=CC=CC=C32)[N+](=O)[O-])CSC(=S)N

InChI

InChI=1S/C22H27N3O2S4.4C10H20/c1-14(12-30-20(23)28)18-10-9-15(13-31-21(24)29)11-22(18,25(26)27)19-8-4-6-16-5-2-3-7-17(16)19;4*1-8(2)10-6-4-9(3)5-7-10/h2-8,14-15,18H,9-13H2,1H3,(H2,23,28)(H2,24,29);4*8-10H,4-7H2,1-3H3