2-(3H-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(3-methyl-1-piperidyl)-3-oxo-butanenitrile CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(3-methyl-1-piperidinyl)-3-oxobutanenitrile IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)-3-oxobutanenitrile Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-(3-methylpiperidino)butyronitrile Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC(=O)C(=C2NC3=CC=CC=C3S2)C#N

Isomeric SMILES

CC1CCCN(C1)CC(=O)C(=C2NC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C17H19N3OS/c1-12-5-4-8-20(10-12)11-15(21)13(9-18)17-19-14-6-2-3-7-16(14)22-17/h2-3,6-7,12,19H,4-5,8,10-11H2,1H3