1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(4-methoxyphenyl)thiourea

Systemtic Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(4-methoxyphenyl)thiourea CAS Name: 1-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1-cycloheptyl-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl]-1-cycloheptyl-3-(4-methoxyphenyl)thiourea Formula: C27H32ClN3OS MolecularWeight: 482.08048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C4CCCCCC4

InChI

InChI=1S/C27H32ClN3OS/c1-32-25-16-14-22(15-17-25)29-27(33)31(23-10-4-2-3-5-11-23)20-24-12-8-18-30(24)19-21-9-6-7-13-26(21)28/h6-9,12-18,23H,2-5,10-11,19-20H2,1H3,(H,29,33)