7-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(2-chloro-6-fluoro-benzyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H21ClFN3O2S MolecularWeight: 433.926743

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=C(C=CC=C4Cl)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=C(C=CC=C4Cl)F)NC1=O

InChI

InChI=1S/C21H21ClFN3O2S/c22-16-2-1-3-17(23)15(16)13-25-7-9-26(10-8-25)21(28)14-4-5-19-18(12-14)24-20(27)6-11-29-19/h1-5,12H,6-11,13H2,(H,24,27)