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

Systemtic Name: 7-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H22ClN3O2S MolecularWeight: 415.93628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-14-2-4-16(22)13-18(14)24-7-9-25(10-8-24)21(27)15-3-5-19-17(12-15)23-20(26)6-11-28-19/h2-5,12-13H,6-11H2,1H3,(H,23,26)