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

Systemtic Name: 7-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-allyl-7-[4-(2-nitrophenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(2-nitrophenyl)-1-piperazinyl]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(2-nitrophenyl)piperazine-1-carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-allyl-7-[4-(2-nitrophenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4S/c1-2-9-26-21(29)16-8-7-15(14-17(16)23-22(26)32)20(28)25-12-10-24(11-13-25)18-5-3-4-6-19(18)27(30)31/h2-8,14H,1,9-13H2,(H,23,32)