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

Systemtic Name: 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-N-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-amyl-3-(2-chlorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3Cl

Isomeric SMILES

CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-2-3-6-11-23-19(26)14-9-10-16-18(12-14)24-21(28)25(20(16)27)13-15-7-4-5-8-17(15)22/h4-5,7-10,12H,2-3,6,11,13H2,1H3,(H,23,26)(H,24,28)