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

Systemtic Name: 4-azanyl-2-[(4-methylphenyl)amino]-N-phenyl-5-(phenylcarbonyl)-1H-pyrrole-3-carbothioamide Openeye Name: 4-amino-5-benzoyl-2-(4-methylanilino)-N-phenyl-1H-pyrrole-3-carbothioamide CAS Name: 4-amino-5-benzoyl-2-(4-methylanilino)-N-phenyl-1H-pyrrole-3-carbothioamide IUPAC Name: 4-amino-5-benzoyl-2-(4-methylanilino)-N-phenyl-1H-pyrrole-3-carbothioamide Traditional Name: 4-amino-5-benzoyl-N-phenyl-2-(p-toluidino)-1H-pyrrole-3-carbothioamide Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4OS/c1-16-12-14-19(15-13-16)27-24-20(25(31)28-18-10-6-3-7-11-18)21(26)22(29-24)23(30)17-8-4-2-5-9-17/h2-15,27,29H,26H2,1H3,(H,28,31)