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

Systemtic Name: 4-[3-(3-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]butanamide Openeye Name: N-(1-benzyl-4-piperidyl)-4-[3-(3-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-butanamide CAS Name: 4-[[3-(3-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-[1-(phenylmethyl)-4-piperidinyl]butanamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-4-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(1-benzyl-4-piperidyl)-4-[[3-(3-fluorophenyl)-4-keto-quinazolin-2-yl]thio]butyramide Formula: C30H31FN4O2S MolecularWeight: 530.656143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)F)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)F)CC5=CC=CC=C5

InChI

InChI=1S/C30H31FN4O2S/c31-23-10-6-11-25(20-23)35-29(37)26-12-4-5-13-27(26)33-30(35)38-19-7-14-28(36)32-24-15-17-34(18-16-24)21-22-8-2-1-3-9-22/h1-6,8-13,20,24H,7,14-19,21H2,(H,32,36)