N-[3-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoylamino]phenyl]thiophene-2-carboxamide Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H18N4O3S2/c27-19(10-11-26-21(29)16-7-1-2-8-17(16)25-22(26)30)23-14-5-3-6-15(13-14)24-20(28)18-9-4-12-31-18/h1-9,12-13H,10-11H2,(H,23,27)(H,24,28)(H,25,30)