2-(1,3-benzothiazol-2-ylamino)-5,6-diethanoyl-5,6-dihydro-1H-1,3-diazepine-4,7-dione

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-5,6-diethanoyl-5,6-dihydro-1H-1,3-diazepine-4,7-dione Openeye Name: 5,6-diacetyl-2-(1,3-benzothiazol-2-ylamino)-5,6-dihydro-1H-1,3-diazepine-4,7-dione CAS Name: 5,6-diacetyl-2-(1,3-benzothiazol-2-ylamino)-5,6-dihydro-1H-1,3-diazepine-4,7-dione IUPAC Name: 5,6-diacetyl-2-(1,3-benzothiazol-2-ylamino)-5,6-dihydro-1H-1,3-diazepine-4,7-dione Traditional Name: 5,6-diacetyl-2-(1,3-benzothiazol-2-ylamino)-5,6-dihydro-1H-1,3-diazepine-4,7-quinone Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(=O)N=C(NC1=O)NC2=NC3=CC=CC=C3S2)C(=O)C

Isomeric SMILES

CC(=O)C1C(C(=O)N=C(NC1=O)NC2=NC3=CC=CC=C3S2)C(=O)C

InChI

InChI=1S/C16H14N4O4S/c1-7(21)11-12(8(2)22)14(24)19-15(18-13(11)23)20-16-17-9-5-3-4-6-10(9)25-16/h3-6,11-12H,1-2H3,(H2,17,18,19,20,23,24)