3-[(4-chlorophenyl)methyl]-7-(3-methylpiperidin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(4-chlorophenyl)methyl]-7-(3-methylpiperidin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(4-chlorophenyl)methyl]-7-(3-methylpiperidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(4-chlorophenyl)methyl]-7-[(3-methyl-1-piperidinyl)-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(4-chlorophenyl)methyl]-7-(3-methylpiperidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(4-chlorobenzyl)-7-(3-methylpiperidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-14-3-2-10-25(12-14)20(27)16-6-9-18-19(11-16)24-22(29)26(21(18)28)13-15-4-7-17(23)8-5-15/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,24,29)