N-(3-cyclohexylsulfanylpropyl)-2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-[3-(cyclohexylthio)propyl]-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-[3-(cyclohexylthio)propyl]-2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C20H28N2O2S2 MolecularWeight: 392.57852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCCNC(=O)CN2C(=O)CCSC3=CC=CC=C32

Isomeric SMILES

C1CCC(CC1)SCCCNC(=O)CN2C(=O)CCSC3=CC=CC=C32

InChI

InChI=1S/C20H28N2O2S2/c23-19(21-12-6-13-25-16-7-2-1-3-8-16)15-22-17-9-4-5-10-18(17)26-14-11-20(22)24/h4-5,9-10,16H,1-3,6-8,11-15H2,(H,21,23)