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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=C(N2)C(=O)C3=CC=CC=C3)N)C(=S)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=C(N2)C(=O)C3=CC=CC=C3)N)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C25H22N4OS/c26-21-20(25(31)28-19-14-8-3-9-15-19)24(27-16-17-10-4-1-5-11-17)29-22(21)23(30)18-12-6-2-7-13-18/h1-15,27,29H,16,26H2,(H,28,31)