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

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

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

InChI

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