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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-4-keto-N-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O3S/c1-27-10-2-9-22-18(25)14-5-8-16-17(11-14)23-20(28)24(19(16)26)12-13-3-6-15(21)7-4-13/h3-8,11H,2,9-10,12H2,1H3,(H,22,25)(H,23,28)