3-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-phenethyl-propanamide

Systemtic Name: 3-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-phenethyl-propanamide Openeye Name: 3-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-phenethyl-propanamide CAS Name: 3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-phenethylpropanamide IUPAC Name: 3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-phenethylpropanamide Traditional Name: 3-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-phenethyl-propionamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCCC3=CC=CC=C3)OCC

InChI

InChI=1S/C23H27N3O4S/c1-3-29-19-14-17-18(15-20(19)30-4-2)25-23(31)26(22(17)28)13-11-21(27)24-12-10-16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,24,27)(H,25,31)