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

Systemtic Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(2-morpholino-1,3-benzothiazol-6-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5)NC1=O

InChI

InChI=1S/C21H20N4O3S2/c26-19-5-10-29-17-4-1-13(11-16(17)23-19)20(27)22-14-2-3-15-18(12-14)30-21(24-15)25-6-8-28-9-7-25/h1-4,11-12H,5-10H2,(H,22,27)(H,23,26)