1-(8-chloranyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[ethyl(phenethyl)amino]propan-1-one

Systemtic Name: 1-(8-chloranyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[ethyl(phenethyl)amino]propan-1-one Openeye Name: 1-(8-chloro-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[ethyl(phenethyl)amino]propan-1-one CAS Name: 1-(8-chloro-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[ethyl(phenethyl)amino]-1-propanone IUPAC Name: 1-(8-chloro-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[ethyl(phenethyl)amino]propan-1-one Traditional Name: 1-(8-chloro-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[ethyl(phenethyl)amino]propan-1-one Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=CC=C1)CCC(=O)N2CCCSC3=C2C=CC(=C3)Cl

Isomeric SMILES

CCN(CCC1=CC=CC=C1)CCC(=O)N2CCCSC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C22H27ClN2OS/c1-2-24(14-11-18-7-4-3-5-8-18)15-12-22(26)25-13-6-16-27-21-17-19(23)9-10-20(21)25/h3-5,7-10,17H,2,6,11-16H2,1H3