(3S)-4,4-dimethyl-2-oxidanylidene-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile

Systemtic Name: (3S)-4,4-dimethyl-2-oxidanylidene-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile Openeye Name: (3S)-4,4-dimethyl-2-oxo-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile CAS Name: (3S)-4,4-dimethyl-2-oxo-6-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,3-dihydropyridine-3,5-dicarbonitrile IUPAC Name: (3S)-4,4-dimethyl-2-oxo-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile Traditional Name: (3S)-2-keto-6-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-4,4-dimethyl-1,3-dihydropyridine-3,5-dicarbonitrile Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)NC(=C1C#N)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1([C@H](C(=O)NC(=C1C#N)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C21H23N5O2S/c1-21(2)16(12-22)19(28)24-20(17(21)13-23)29-14-18(27)26-10-8-25(9-11-26)15-6-4-3-5-7-15/h3-7,16H,8-11,14H2,1-2H3,(H,24,28)/t16-/m0/s1