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

Systemtic Name: 7-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(4-isobutyrylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C18H23N3O3S/c1-12(2)17(23)20-6-8-21(9-7-20)18(24)13-3-4-15-14(11-13)19-16(22)5-10-25-15/h3-4,11-12H,5-10H2,1-2H3,(H,19,22)