1-[2-(4-chlorophenyl)ethyl]-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-ethylphenyl)thiourea

Systemtic Name: 1-[2-(4-chlorophenyl)ethyl]-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-ethylphenyl)thiourea Openeye Name: 1-[2-(4-chlorophenyl)ethyl]-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-ethylphenyl)thiourea CAS Name: 1-[2-(4-chlorophenyl)ethyl]-1-[[1-[(2,4-dimethylphenyl)methyl]-2-pyrrolyl]methyl]-3-(3-ethylphenyl)thiourea IUPAC Name: 1-[2-(4-chlorophenyl)ethyl]-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(3-ethylphenyl)thiourea Traditional Name: 1-[2-(4-chlorophenyl)ethyl]-1-[[1-(2,4-dimethylbenzyl)pyrrol-2-yl]methyl]-3-(3-ethylphenyl)thiourea Formula: C31H34ClN3S MolecularWeight: 516.13976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N(CCC2=CC=C(C=C2)Cl)CC3=CC=CN3CC4=C(C=C(C=C4)C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N(CCC2=CC=C(C=C2)Cl)CC3=CC=CN3CC4=C(C=C(C=C4)C)C

InChI

InChI=1S/C31H34ClN3S/c1-4-25-7-5-8-29(20-25)33-31(36)35(18-16-26-11-14-28(32)15-12-26)22-30-9-6-17-34(30)21-27-13-10-23(2)19-24(27)3/h5-15,17,19-20H,4,16,18,21-22H2,1-3H3,(H,33,36)