1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(3-methylsulfanylphenyl)thiourea

Systemtic Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(3-methylsulfanylphenyl)thiourea Openeye Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1-cycloheptyl-3-[3-(methylthio)phenyl]thiourea IUPAC Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(3-methylsulfanylphenyl)thiourea Traditional Name: 1-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl]-1-cycloheptyl-3-[3-(methylthio)phenyl]thiourea Formula: C27H32ClN3S2 MolecularWeight: 498.14608

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C4CCCCCC4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C4CCCCCC4

InChI

InChI=1S/C27H32ClN3S2/c1-33-25-15-8-11-22(18-25)29-27(32)31(23-12-4-2-3-5-13-23)20-24-14-9-17-30(24)19-21-10-6-7-16-26(21)28/h6-11,14-18,23H,2-5,12-13,19-20H2,1H3,(H,29,32)