4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(1,3-benzothiazol-2-yl)piperazine-1-carboxamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(1,3-benzothiazol-2-yl)piperazine-1-carboxamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(1,3-benzothiazol-2-yl)piperazine-1-carboxamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-(1,3-benzothiazol-2-yl)-1-piperazinecarboxamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-(1,3-benzothiazol-2-yl)piperazine-1-carboxamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-(1,3-benzothiazol-2-yl)piperazine-1-carboxamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H27N5O2S/c26-18(24-9-5-1-2-6-10-24)15-23-11-13-25(14-12-23)20(27)22-19-21-16-7-3-4-8-17(16)28-19/h3-4,7-8H,1-2,5-6,9-15H2,(H,21,22,27)