2-(3,4-dimethylphenyl)sulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[6-(3-ketopiperazino)-3-pyridyl]nicotinamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)C

InChI

InChI=1S/C23H23N5O2S/c1-15-5-7-18(12-16(15)2)31-23-19(4-3-9-25-23)22(30)27-17-6-8-20(26-13-17)28-11-10-24-21(29)14-28/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,29)(H,27,30)