7-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4)C

InChI

InChI=1S/C22H25N3O2S/c1-15-4-3-5-19(16(15)2)24-9-11-25(12-10-24)22(27)17-6-7-20-18(14-17)23-21(26)8-13-28-20/h3-7,14H,8-13H2,1-2H3,(H,23,26)