3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(3-cyano-2-thienyl)propionamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C20H29N5O2S/c21-15-17-6-14-28-20(17)22-18(26)5-9-23-10-12-24(13-11-23)16-19(27)25-7-3-1-2-4-8-25/h6,14H,1-5,7-13,16H2,(H,22,26)