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

Systemtic Name: 4-azanyl-2-[(4-methoxyphenyl)amino]-5-(4-methylphenyl)carbonyl-N-phenyl-1H-pyrrole-3-carbothioamide Openeye Name: 4-amino-2-(4-methoxyanilino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide CAS Name: 4-amino-2-(4-methoxyanilino)-5-[(4-methylphenyl)-oxomethyl]-N-phenyl-1H-pyrrole-3-carbothioamide IUPAC Name: 4-amino-2-(4-methoxyanilino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide Traditional Name: 4-amino-2-(p-anisidino)-N-phenyl-5-p-toluoyl-1H-pyrrole-3-carbothioamide Formula: C26H24N4O2S MolecularWeight: 456.55936

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

InChI

InChI=1S/C26H24N4O2S/c1-16-8-10-17(11-9-16)24(31)23-22(27)21(26(33)29-18-6-4-3-5-7-18)25(30-23)28-19-12-14-20(32-2)15-13-19/h3-15,28,30H,27H2,1-2H3,(H,29,33)