(E)-1-[4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]piperidin-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]piperidin-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-1-piperidyl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]-1-piperidinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)piperidino]-3-phenyl-prop-2-en-1-one Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2S/c1-19-13-18-27(22-9-5-6-10-23(22)30-19)25(29)21-14-16-26(17-15-21)24(28)12-11-20-7-3-2-4-8-20/h2-12,19,21H,13-18H2,1H3/b12-11+