N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-3-phenyl-2-thioxo-4-imidazoline-4-carboxamide Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C19H18N6O2S/c26-17-12-24(9-8-20-17)16-7-6-13(10-21-16)23-18(27)15-11-22-19(28)25(15)14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H,20,26)(H,22,28)(H,23,27)