N-[4-[3-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]ethanamide

Systemtic Name: N-[4-[3-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]ethanamide Openeye Name: N-[4-[3-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]phenyl]acetamide CAS Name: N-[4-[3-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-2,5-dioxo-1-pyrrolidinyl]phenyl]acetamide IUPAC Name: N-[4-[3-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide Traditional Name: N-[4-[3-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-2,5-diketo-pyrrolidino]phenyl]acetamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=C(CCCCC4)C=C3C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=C(CCCCC4)C=C3C#N

InChI

InChI=1S/C23H22N4O3S/c1-14(28)25-17-7-9-18(10-8-17)27-21(29)12-20(23(27)30)31-22-16(13-24)11-15-5-3-2-4-6-19(15)26-22/h7-11,20H,2-6,12H2,1H3,(H,25,28)