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

Systemtic Name: 7-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 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]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C18H15N5O5S2 MolecularWeight: 445.4722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5S2/c24-15-11-2-1-10(9-12(11)19-18(29)20-15)16(25)21-5-7-22(8-6-21)17(26)13-3-4-14(30-13)23(27)28/h1-4,9H,5-8H2,(H2,19,20,24,29)