N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C18H15N3O2S3 MolecularWeight: 401.5256

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C18H15N3O2S3/c1-24-18-21-12-4-3-11(9-15(12)26-18)19-17(23)10-2-5-14-13(8-10)20-16(22)6-7-25-14/h2-5,8-9H,6-7H2,1H3,(H,19,23)(H,20,22)