4-oxidanylidene-2-sulfanylidene-N-[3-(thiophen-2-ylcarbonylamino)phenyl]-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-2-sulfanylidene-N-[3-(thiophen-2-ylcarbonylamino)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-2-sulfanylidene-N-[3-(thiophene-2-carbonylamino)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[3-(2-thenoylamino)phenyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H14N4O3S2 MolecularWeight: 422.48016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C20H14N4O3S2/c25-17(11-6-7-14-15(9-11)23-20(28)24-18(14)26)21-12-3-1-4-13(10-12)22-19(27)16-5-2-8-29-16/h1-10H,(H,21,25)(H,22,27)(H2,23,24,26,28)