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

Systemtic Name: 4-azanyl-2-[(4-chlorophenyl)amino]-5-(4-methylphenyl)carbonyl-N-phenyl-1H-pyrrole-3-carbothioamide Openeye Name: 4-amino-2-(4-chloroanilino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide CAS Name: 4-amino-2-(4-chloroanilino)-5-[(4-methylphenyl)-oxomethyl]-N-phenyl-1H-pyrrole-3-carbothioamide IUPAC Name: 4-amino-2-(4-chloroanilino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide Traditional Name: 4-amino-2-(4-chloroanilino)-N-phenyl-5-p-toluoyl-1H-pyrrole-3-carbothioamide Formula: C25H21ClN4OS MolecularWeight: 460.97844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NC3=CC=C(C=C3)Cl)C(=S)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NC3=CC=C(C=C3)Cl)C(=S)NC4=CC=CC=C4)N

InChI

InChI=1S/C25H21ClN4OS/c1-15-7-9-16(10-8-15)23(31)22-21(27)20(25(32)29-18-5-3-2-4-6-18)24(30-22)28-19-13-11-17(26)12-14-19/h2-14,28,30H,27H2,1H3,(H,29,32)