3-(3-methoxypropyl)-N-(4-methyl-3-nitro-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-N-(4-methyl-3-nitro-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-N-(4-methyl-3-nitro-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-N-(4-methyl-3-nitrophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-N-(4-methyl-3-nitrophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-N-(4-methyl-3-nitro-phenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c1-12-4-6-14(11-17(12)24(27)28)21-18(25)13-5-7-15-16(10-13)22-20(30)23(19(15)26)8-3-9-29-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,25)(H,22,30)