N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-(3-fluoroanilino)-2-keto-ethyl]-4-keto-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C19H18FN3O3S MolecularWeight: 387.427923

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C19H18FN3O3S/c1-23(11-18(25)21-14-4-2-3-13(20)10-14)19(26)12-5-6-16-15(9-12)22-17(24)7-8-27-16/h2-6,9-10H,7-8,11H2,1H3,(H,21,25)(H,22,24)