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

Systemtic Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-ethylphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-ethylphenyl)thiourea CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-3-(2-ethylphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-ethylphenyl)thiourea Traditional Name: 1-benzyl-1-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-3-(2-ethylphenyl)thiourea Formula: C28H28ClN3S MolecularWeight: 474.06002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H28ClN3S/c1-2-24-13-6-7-16-27(24)30-28(33)32(19-22-10-4-3-5-11-22)21-26-15-9-17-31(26)20-23-12-8-14-25(29)18-23/h3-18H,2,19-21H2,1H3,(H,30,33)