2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(4-keto-2-thioxo-1H-quinazolin-3-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H15N3O2S2 MolecularWeight: 357.4499

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C(=O)C4=CC=CC=C4NC3=S)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C(=O)C4=CC=CC=C4NC3=S)C(=O)N

InChI

InChI=1S/C17H15N3O2S2/c18-14(21)13-10-6-2-4-8-12(10)24-16(13)20-15(22)9-5-1-3-7-11(9)19-17(20)23/h1,3,5,7H,2,4,6,8H2,(H2,18,21)(H,19,23)