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

Systemtic Name: 4-azanyl-5-(3,4-dichlorophenyl)carbonyl-N-phenyl-2-[(phenylmethyl)amino]-1H-pyrrole-3-carbothioamide Openeye Name: 4-amino-2-(benzylamino)-5-(3,4-dichlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide CAS Name: 4-amino-5-[(3,4-dichlorophenyl)-oxomethyl]-N-phenyl-2-[(phenylmethyl)amino]-1H-pyrrole-3-carbothioamide IUPAC Name: 4-amino-2-(benzylamino)-5-(3,4-dichlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide Traditional Name: 4-amino-2-(benzylamino)-5-(3,4-dichlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide Formula: C25H20Cl2N4OS MolecularWeight: 495.4235

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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)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)Cl)N)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C25H20Cl2N4OS/c26-18-12-11-16(13-19(18)27)23(32)22-21(28)20(25(33)30-17-9-5-2-6-10-17)24(31-22)29-14-15-7-3-1-4-8-15/h1-13,29,31H,14,28H2,(H,30,33)