7-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C19H17N5O4S/c25-17-15-6-1-12(11-16(15)20-19(29)21-17)18(26)23-9-7-22(8-10-23)13-2-4-14(5-3-13)24(27)28/h1-6,11H,7-10H2,(H2,20,21,25,29)