7-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-allyl-7-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-allyl-7-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H19N5O5S2 MolecularWeight: 485.53606

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-])NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-])NC1=S

InChI

InChI=1S/C21H19N5O5S2/c1-2-7-25-19(28)14-4-3-13(12-15(14)22-21(25)32)18(27)23-8-10-24(11-9-23)20(29)16-5-6-17(33-16)26(30)31/h2-6,12H,1,7-11H2,(H,22,32)