N-butan-2-yl-2-[4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanamide

Systemtic Name: N-butan-2-yl-2-[4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]piperazin-1-yl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-butan-2-yl-2-[4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]piperazin-1-yl]acetamide Traditional Name: 2-[4-[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]piperazino]-N-sec-butyl-acetamide Formula: C22H34N4O2S MolecularWeight: 418.59596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1CCN(CC1)CC(=O)N2CCC(SC3=CC=CC=C32)C

Isomeric SMILES

CCC(C)NC(=O)CN1CCN(CC1)CC(=O)N2CCC(SC3=CC=CC=C32)C

InChI

InChI=1S/C22H34N4O2S/c1-4-17(2)23-21(27)15-24-11-13-25(14-12-24)16-22(28)26-10-9-18(3)29-20-8-6-5-7-19(20)26/h5-8,17-18H,4,9-16H2,1-3H3,(H,23,27)