N-[[(3-pyrrol-1-ylpyridin-2-yl)amino]carbamothioyl]benzamide

Systemtic Name: N-[[(3-pyrrol-1-ylpyridin-2-yl)amino]carbamothioyl]benzamide Openeye Name: N-[[(3-pyrrol-1-yl-2-pyridyl)amino]carbamothioyl]benzamide CAS Name: N-[[[3-(1-pyrrolyl)-2-pyridinyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(3-pyrrol-1-ylpyridin-2-yl)amino]carbamothioyl]benzamide Traditional Name: N-[[(3-pyrrol-1-yl-2-pyridyl)amino]thiocarbamoyl]benzamide Formula: C17H15N5OS MolecularWeight: 337.3989

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NNC2=C(C=CC=N2)N3C=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NNC2=C(C=CC=N2)N3C=CC=C3

InChI

InChI=1S/C17H15N5OS/c23-16(13-7-2-1-3-8-13)19-17(24)21-20-15-14(9-6-10-18-15)22-11-4-5-12-22/h1-12H,(H,18,20)(H2,19,21,23,24)