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

Systemtic Name: 3-(3-methoxypropyl)-N-methyl-4-oxidanylidene-N-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-N-methyl-4-oxo-N-phenyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-N-methyl-4-oxo-N-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-N-methyl-4-oxo-N-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-N-methyl-N-phenyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC

InChI

InChI=1S/C20H21N3O3S/c1-22(15-7-4-3-5-8-15)18(24)14-9-10-16-17(13-14)21-20(27)23(19(16)25)11-6-12-26-2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,27)