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

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

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

InChI

InChI=1S/C25H20Cl2N4OS/c1-14-7-10-17(11-8-14)29-24-20(25(33)30-16-5-3-2-4-6-16)21(28)22(31-24)23(32)15-9-12-18(26)19(27)13-15/h2-13,29,31H,28H2,1H3,(H,30,33)