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

Systemtic Name: 3-[4-(3-methylpiperidin-1-yl)carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-(3-methylpiperidine-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[(3-methyl-1-piperidinyl)-oxomethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-(3-methylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(3-methylpiperidine-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H21N3O2S/c1-14-5-4-12-23(13-14)19(25)15-8-10-16(11-9-15)24-20(26)17-6-2-3-7-18(17)22-21(24)27/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,22,27)