7-chloranyl-3-[3-(3-methylpiperidin-1-yl)carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-[3-(3-methylpiperidin-1-yl)carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-chloro-3-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-chloro-3-[3-[(3-methyl-1-piperidinyl)-oxomethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-chloro-3-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-chloro-3-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

InChI

InChI=1S/C21H20ClN3O2S/c1-13-4-3-9-24(12-13)19(26)14-5-2-6-16(10-14)25-20(27)17-8-7-15(22)11-18(17)23-21(25)28/h2,5-8,10-11,13H,3-4,9,12H2,1H3,(H,23,28)