2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(2,3-dimethylphenyl)piperazino]ethanone Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3CCCSC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3CCCSC4=CC=CC=C43)C

InChI

InChI=1S/C23H29N3OS/c1-18-7-5-9-20(19(18)2)24-12-14-25(15-13-24)23(27)17-26-11-6-16-28-22-10-4-3-8-21(22)26/h3-5,7-10H,6,11-17H2,1-2H3