N-[[2,4-bis(fluoranyl)phenyl]methyl]-N-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[[2,4-bis(fluoranyl)phenyl]methyl]-N-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(2,4-difluorophenyl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(2,4-difluorophenyl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(2,4-difluorophenyl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(2,4-difluorobenzyl)-4-keto-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C18H16F2N2O2S MolecularWeight: 362.393646

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=C(C=C1)F)F)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CN(CC1=C(C=C(C=C1)F)F)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C18H16F2N2O2S/c1-22(10-12-2-4-13(19)9-14(12)20)18(24)11-3-5-16-15(8-11)21-17(23)6-7-25-16/h2-5,8-9H,6-7,10H2,1H3,(H,21,23)