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

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-ethylpiperazin-1-yl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-ethylpiperazin-1-yl)-3-oxo-butanenitrile CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-ethyl-1-piperazinyl)-3-oxobutanenitrile IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-ethylpiperazin-1-yl)-3-oxobutanenitrile Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(4-ethylpiperazino)-3-keto-butyronitrile Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)C(=C2NC3=CC=CC=C3S2)C#N

Isomeric SMILES

CCN1CCN(CC1)CC(=O)C(=C2NC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C17H20N4OS/c1-2-20-7-9-21(10-8-20)12-15(22)13(11-18)17-19-14-5-3-4-6-16(14)23-17/h3-6,19H,2,7-10,12H2,1H3