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

Systemtic Name: 4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-phenethyl-butanamide Openeye Name: 4-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-phenethyl-butanamide CAS Name: 4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-phenethylbutanamide IUPAC Name: 4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-phenethylbutanamide Traditional Name: 4-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-phenethyl-butyramide Formula: C24H29N3O4S MolecularWeight: 455.56976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S/c1-3-30-20-15-18-19(16-21(20)31-4-2)26-24(32)27(23(18)29)14-8-11-22(28)25-13-12-17-9-6-5-7-10-17/h5-7,9-10,15-16H,3-4,8,11-14H2,1-2H3,(H,25,28)(H,26,32)