1-methyl-3-[(1S,2S)-2-methylcyclohexyl]-1-[(4-methylsulfanylphenyl)methyl]thiourea

Systemtic Name: 1-methyl-3-[(1S,2S)-2-methylcyclohexyl]-1-[(4-methylsulfanylphenyl)methyl]thiourea Openeye Name: 1-methyl-3-[(1S,2S)-2-methylcyclohexyl]-1-[(4-methylsulfanylphenyl)methyl]thiourea CAS Name: 1-methyl-3-[(1S,2S)-2-methylcyclohexyl]-1-[[4-(methylthio)phenyl]methyl]thiourea IUPAC Name: 1-methyl-3-[(1S,2S)-2-methylcyclohexyl]-1-[(4-methylsulfanylphenyl)methyl]thiourea Traditional Name: 1-methyl-3-[(1S,2S)-2-methylcyclohexyl]-1-[4-(methylthio)benzyl]thiourea Formula: C17H26N2S2 MolecularWeight: 322.53174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)N(C)CC2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N(C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H26N2S2/c1-13-6-4-5-7-16(13)18-17(20)19(2)12-14-8-10-15(21-3)11-9-14/h8-11,13,16H,4-7,12H2,1-3H3,(H,18,20)/t13-,16-/m0/s1