2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide

Systemtic Name: 2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide Openeye Name: 2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide CAS Name: 2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide IUPAC Name: 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Traditional Name: 2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

InChI=1S/C21H20N4O6S/c1-12-4-5-14-13(8-12)20(27)24(2)21(23-14)32-11-19(26)22-15-9-17-18(10-16(15)25(28)29)31-7-3-6-30-17/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,22,26)