3-(3-methoxypropyl)-4-oxidanylidene-N-(2-phenylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-4-oxidanylidene-N-(2-phenylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-4-oxo-N-(2-phenylpropyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-4-oxo-N-(2-phenylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-4-oxo-N-(2-phenylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-N-(2-phenylpropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCOC)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCOC)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-15(16-7-4-3-5-8-16)14-23-20(26)17-9-10-18-19(13-17)24-22(29)25(21(18)27)11-6-12-28-2/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H,23,26)(H,24,29)