S-(4-chlorophenyl) N-[4-[4-(dimethylaminomethyl)phenyl]cyclohexyl]-N-methyl-carbamothioate

Systemtic Name: S-(4-chlorophenyl) N-[4-[4-(dimethylaminomethyl)phenyl]cyclohexyl]-N-methyl-carbamothioate Openeye Name: S-(4-chlorophenyl) N-[4-[4-(dimethylaminomethyl)phenyl]cyclohexyl]-N-methyl-carbamothioate CAS Name: N-[4-[4-(dimethylaminomethyl)phenyl]cyclohexyl]-N-methylcarbamothioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) N-[4-[4-(dimethylaminomethyl)phenyl]cyclohexyl]-N-methylcarbamothioate Traditional Name: N-[4-[4-(dimethylaminomethyl)phenyl]cyclohexyl]-N-methyl-thiocarbamic acid S-(4-chlorophenyl) ester Formula: C23H29ClN2OS MolecularWeight: 417.00716

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)C2CCC(CC2)N(C)C(=O)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)C2CCC(CC2)N(C)C(=O)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN2OS/c1-25(2)16-17-4-6-18(7-5-17)19-8-12-21(13-9-19)26(3)23(27)28-22-14-10-20(24)11-15-22/h4-7,10-11,14-15,19,21H,8-9,12-13,16H2,1-3H3