4-[3-(3-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide

Systemtic Name: 4-[3-(3-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide Openeye Name: 4-[3-(3-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[3-(2-methyl-1-piperidyl)propyl]butanamide CAS Name: 4-[[3-(3-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-[3-(2-methyl-1-piperidinyl)propyl]butanamide IUPAC Name: 4-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide Traditional Name: 4-[[3-(3-fluorophenyl)-4-keto-quinazolin-2-yl]thio]-N-[3-(2-methylpiperidino)propyl]butyramide Formula: C27H33FN4O2S MolecularWeight: 496.639923

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)F

Isomeric SMILES

CC1CCCCN1CCCNC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)F

InChI

InChI=1S/C27H33FN4O2S/c1-20-9-4-5-16-31(20)17-8-15-29-25(33)14-7-18-35-27-30-24-13-3-2-12-23(24)26(34)32(27)22-11-6-10-21(28)19-22/h2-3,6,10-13,19-20H,4-5,7-9,14-18H2,1H3,(H,29,33)