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

Systemtic Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(4-ethylphenyl)thiourea Openeye Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(4-ethylphenyl)thiourea CAS Name: 1-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1-cycloheptyl-3-(4-ethylphenyl)thiourea IUPAC Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(4-ethylphenyl)thiourea Traditional Name: 1-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl]-1-cycloheptyl-3-(4-ethylphenyl)thiourea Formula: C28H34ClN3S MolecularWeight: 480.10766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C4CCCCCC4

InChI

InChI=1S/C28H34ClN3S/c1-2-22-15-17-24(18-16-22)30-28(33)32(25-11-5-3-4-6-12-25)21-26-13-9-19-31(26)20-23-10-7-8-14-27(23)29/h7-10,13-19,25H,2-6,11-12,20-21H2,1H3,(H,30,33)