3-methyl-2-sulfanylidene-7-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonyl-1H-quinazolin-4-one

Systemtic Name: 3-methyl-2-sulfanylidene-7-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonyl-1H-quinazolin-4-one Openeye Name: 3-methyl-7-[4-(3-thienylmethyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-methyl-7-[oxo-[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-methyl-2-sulfanylidene-7-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-1H-quinazolin-4-one Traditional Name: 3-methyl-7-[4-(3-thenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC=C4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC=C4)NC1=S

InChI

InChI=1S/C19H20N4O2S2/c1-21-18(25)15-3-2-14(10-16(15)20-19(21)26)17(24)23-7-5-22(6-8-23)11-13-4-9-27-12-13/h2-4,9-10,12H,5-8,11H2,1H3,(H,20,26)