1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-4-(2-thienyl)butan-1-one Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)CCCC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C20H31N3O2S/c24-19(9-5-7-18-8-6-16-26-18)23-14-12-21(13-15-23)17-20(25)22-10-3-1-2-4-11-22/h6,8,16H,1-5,7,9-15,17H2