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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=C(N2)C(=O)C3=CC=C(C=C3)Cl)N)C(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=C(N2)C(=O)C3=CC=C(C=C3)Cl)N)C(=S)NC4=CC=CC=C4

InChI

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