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

Systemtic Name: 3-ethyl-7-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-ethyl-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-ethyl-7-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-ethyl-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-ethyl-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])NC1=S

InChI

InChI=1S/C21H21N5O4S/c1-2-25-20(28)17-8-3-14(13-18(17)22-21(25)31)19(27)24-11-9-23(10-12-24)15-4-6-16(7-5-15)26(29)30/h3-8,13H,2,9-12H2,1H3,(H,22,31)