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

Systemtic Name: [4-(1-carbamothioylsulfanylpropan-2-yl)-3-naphthalen-1-yl-3-nitro-cyclohexyl]methyl carbamodithioate Openeye Name: [4-(2-carbamothioylsulfanyl-1-methyl-ethyl)-3-(1-naphthyl)-3-nitro-cyclohexyl]methyl carbamodithioate CAS Name: carbamodithioic acid [4-[1-(carbamothioylthio)propan-2-yl]-3-(1-naphthalenyl)-3-nitrocyclohexyl]methyl ester IUPAC Name: [4-(1-carbamothioylsulfanylpropan-2-yl)-3-naphthalen-1-yl-3-nitrocyclohexyl]methyl carbamodithioate Traditional Name: carbamodithioic acid [4-[1-methyl-2-(thiocarbamoylthio)ethyl]-3-(1-naphthyl)-3-nitro-cyclohexyl]methyl ester Formula: C22H27N3O2S4 MolecularWeight: 493.72868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S4/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/h2-8,14-15,18H,9-13H2,1H3,(H2,23,28)(H2,24,29)