4-azanyl-5-(4-chlorophenyl)carbonyl-N-phenyl-2-[(phenylmethyl)amino]-1H-pyrrole-3-carbothioamide

Systemtic Name: 4-azanyl-5-(4-chlorophenyl)carbonyl-N-phenyl-2-[(phenylmethyl)amino]-1H-pyrrole-3-carbothioamide Openeye Name: 4-amino-2-(benzylamino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide CAS Name: 4-amino-5-[(4-chlorophenyl)-oxomethyl]-N-phenyl-2-[(phenylmethyl)amino]-1H-pyrrole-3-carbothioamide IUPAC Name: 4-amino-2-(benzylamino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide Traditional Name: 4-amino-2-(benzylamino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide Formula: C25H21ClN4OS MolecularWeight: 460.97844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=C(N2)C(=O)C3=CC=C(C=C3)Cl)N)C(=S)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=C(N2)C(=O)C3=CC=C(C=C3)Cl)N)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C25H21ClN4OS/c26-18-13-11-17(12-14-18)23(31)22-21(27)20(25(32)29-19-9-5-2-6-10-19)24(30-22)28-15-16-7-3-1-4-8-16/h1-14,28,30H,15,27H2,(H,29,32)