3-(4-methoxyphenyl)sulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide Openeye Name: 3-(4-methoxyphenyl)sulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]propanamide CAS Name: 3-[(4-methoxyphenyl)thio]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]propanamide IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]propanamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-3-[(4-methoxyphenyl)thio]propionamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C19H22N4O3S/c1-26-15-3-5-16(6-4-15)27-11-8-18(24)22-14-2-7-17(21-12-14)23-10-9-20-19(25)13-23/h2-7,12H,8-11,13H2,1H3,(H,20,25)(H,22,24)