N-[4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-quinazolin-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-quinazolin-3-yl]thiophene-2-carboxamide Openeye Name: N-[2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]thiophene-2-carboxamide CAS Name: N-[4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-quinazolinyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]thiophene-2-carboxamide Traditional Name: N-[2-[[2-(benzylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]thiophene-2-carboxamide Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CS4

InChI

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