4-(azepan-1-yl)-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-(1,3-benzothiazol-2-yl)-4-oxidanylidene-butanenitrile

Systemtic Name: 4-(azepan-1-yl)-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-(1,3-benzothiazol-2-yl)-4-oxidanylidene-butanenitrile Openeye Name: 4-(azepan-1-yl)-2-[2-(azepan-1-yl)-2-oxo-ethyl]-2-(1,3-benzothiazol-2-yl)-4-oxo-butanenitrile CAS Name: 4-(1-azepanyl)-2-[2-(1-azepanyl)-2-oxoethyl]-2-(1,3-benzothiazol-2-yl)-4-oxobutanenitrile IUPAC Name: 4-(azepan-1-yl)-2-[2-(azepan-1-yl)-2-oxoethyl]-2-(1,3-benzothiazol-2-yl)-4-oxobutanenitrile Traditional Name: 4-(azepan-1-yl)-2-[2-(azepan-1-yl)-2-keto-ethyl]-2-(1,3-benzothiazol-2-yl)-4-keto-butyronitrile Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC(CC(=O)N2CCCCCC2)(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)C(=O)CC(CC(=O)N2CCCCCC2)(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H32N4O2S/c26-19-25(17-22(30)28-13-7-1-2-8-14-28,18-23(31)29-15-9-3-4-10-16-29)24-27-20-11-5-6-12-21(20)32-24/h5-6,11-12H,1-4,7-10,13-18H2