4-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[4-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-oxo-butoxy]-3-methoxy-benzonitrile CAS Name: 4-[4-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-oxobutoxy]-3-methoxybenzonitrile IUPAC Name: 4-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile Traditional Name: 4-[4-[4-(1,3-benzothiazol-2-yl)piperidino]-4-keto-butoxy]-3-methoxy-benzonitrile Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H25N3O3S/c1-29-21-15-17(16-25)8-9-20(21)30-14-4-7-23(28)27-12-10-18(11-13-27)24-26-19-5-2-3-6-22(19)31-24/h2-3,5-6,8-9,15,18H,4,7,10-14H2,1H3