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

Systemtic Name: 4-azanyl-5-(4-methylphenyl)carbonyl-2-[(5-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide Openeye Name: 4-amino-5-(4-methylbenzoyl)-2-[(5-methyl-2-pyridyl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide CAS Name: 4-amino-5-[(4-methylphenyl)-oxomethyl]-2-[(5-methyl-2-pyridinyl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide IUPAC Name: 4-amino-5-(4-methylbenzoyl)-2-[(5-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide Traditional Name: 4-amino-2-[(5-methyl-2-pyridyl)amino]-N-phenyl-5-p-toluoyl-1H-pyrrole-3-carbothioamide Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NC3=NC=C(C=C3)C)C(=S)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NC3=NC=C(C=C3)C)C(=S)NC4=CC=CC=C4)N

InChI

InChI=1S/C25H23N5OS/c1-15-8-11-17(12-9-15)23(31)22-21(26)20(25(32)28-18-6-4-3-5-7-18)24(30-22)29-19-13-10-16(2)14-27-19/h3-14,30H,26H2,1-2H3,(H,27,29)(H,28,32)