N-(4-ethoxyphenyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(4-ethoxyphenyl)-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-ethoxyphenyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-ethoxyphenyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-phenethyl-N-p-phenetyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3S/c1-2-31-20-11-9-19(10-12-20)26-23(29)18-8-13-21-22(16-18)27-25(32)28(24(21)30)15-14-17-6-4-3-5-7-17/h3-13,16H,2,14-15H2,1H3,(H,26,29)(H,27,32)