4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-phenethyl-benzamide

Systemtic Name: 4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-phenethyl-benzamide Openeye Name: 4-[(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-phenethyl-benzamide CAS Name: 4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-phenethylbenzamide IUPAC Name: 4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-phenethylbenzamide Traditional Name: 4-[(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-phenethyl-benzamide Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4)OCC

InChI

InChI=1S/C28H29N3O4S/c1-3-34-24-16-22-23(17-25(24)35-4-2)30-28(36)31(27(22)33)18-20-10-12-21(13-11-20)26(32)29-15-14-19-8-6-5-7-9-19/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,29,32)(H,30,36)