1-[[5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl]methyl]-1-cycloheptyl-3-(3-ethylphenyl)thiourea

Systemtic Name: 1-[[5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl]methyl]-1-cycloheptyl-3-(3-ethylphenyl)thiourea Openeye Name: 1-[[5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl]methyl]-1-cycloheptyl-3-(3-ethylphenyl)thiourea CAS Name: 1-[[5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl]methyl]-1-cycloheptyl-3-(3-ethylphenyl)thiourea IUPAC Name: 1-[[5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl]methyl]-1-cycloheptyl-3-(3-ethylphenyl)thiourea Traditional Name: 1-[[5-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl]-1-cycloheptyl-3-(3-ethylphenyl)thiourea Formula: C28H34ClN3S MolecularWeight: 480.10766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N(CC2=CC=C(N2)CC3=CC=CC=C3Cl)C4CCCCCC4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N(CC2=CC=C(N2)CC3=CC=CC=C3Cl)C4CCCCCC4

InChI

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