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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC(=CC=C4)Cl)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC(=CC=C4)Cl)NC1=O

InChI

InChI=1S/C21H22ClN3O2S/c22-17-3-1-2-15(12-17)14-24-7-9-25(10-8-24)21(27)16-4-5-19-18(13-16)23-20(26)6-11-28-19/h1-5,12-13H,6-11,14H2,(H,23,26)