N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C23H17N3O2S2 MolecularWeight: 431.52998

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4)NC1=O

InChI

InChI=1S/C23H17N3O2S2/c27-21-10-11-29-19-9-8-14(13-18(19)25-21)22(28)24-16-5-3-4-15(12-16)23-26-17-6-1-2-7-20(17)30-23/h1-9,12-13H,10-11H2,(H,24,28)(H,25,27)