2-(3H-1,3-benzothiazol-2-ylidene)-4-[cyclohexyl(methyl)amino]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-[cyclohexyl(methyl)amino]-3-oxidanylidene-butanenitrile Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-[cyclohexyl(methyl)amino]-3-oxo-butanenitrile CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-[cyclohexyl(methyl)amino]-3-oxobutanenitrile IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-[cyclohexyl(methyl)amino]-3-oxobutanenitrile Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-[cyclohexyl(methyl)amino]-3-keto-butyronitrile Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)C(=C1NC2=CC=CC=C2S1)C#N)C3CCCCC3

Isomeric SMILES

CN(CC(=O)C(=C1NC2=CC=CC=C2S1)C#N)C3CCCCC3

InChI

InChI=1S/C18H21N3OS/c1-21(13-7-3-2-4-8-13)12-16(22)14(11-19)18-20-15-9-5-6-10-17(15)23-18/h5-6,9-10,13,20H,2-4,7-8,12H2,1H3