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

Systemtic Name: 2-methylsulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-3-phenyl-imidazole-4-carboxamide Openeye Name: 2-methylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-3-phenyl-imidazole-4-carboxamide CAS Name: 2-(methylthio)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-phenyl-4-imidazolecarboxamide IUPAC Name: 2-methylsulfanyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-3-phenylimidazole-4-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2-(methylthio)-3-phenyl-imidazole-4-carboxamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C20H20N6O2S/c1-29-20-23-12-16(26(20)15-5-3-2-4-6-15)19(28)24-14-7-8-17(22-11-14)25-10-9-21-18(27)13-25/h2-8,11-12H,9-10,13H2,1H3,(H,21,27)(H,24,28)