1-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-3-(4-nitrophenyl)thiourea Formula: C19H18N6O4S2 MolecularWeight: 458.51402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4S2/c1-2-24-17(27)14-5-3-4-6-15(14)21-19(24)31-11-16(26)22-23-18(30)20-12-7-9-13(10-8-12)25(28)29/h3-10H,2,11H2,1H3,(H,22,26)(H2,20,23,30)