(3R)-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (3R)-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (3R)-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (3R)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (3R)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (3R)-3-[2-keto-2-(4-methylpiperazino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CC2CSC3=CC=CC=C3NC2=O

Isomeric SMILES

CN1CCN(CC1)C(=O)C[C@H]2CSC3=CC=CC=C3NC2=O

InChI

InChI=1S/C16H21N3O2S/c1-18-6-8-19(9-7-18)15(20)10-12-11-22-14-5-3-2-4-13(14)17-16(12)21/h2-5,12H,6-11H2,1H3,(H,17,21)/t12-/m0/s1