N-(2-methoxyphenyl)-2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(2-methoxyphenyl)-2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanyl-butanamide Openeye Name: 2-[3-benzyl-4-oxo-6-(1-piperidyl)quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)butanamide CAS Name: N-(2-methoxyphenyl)-2-[[4-oxo-3-(phenylmethyl)-6-(1-piperidinyl)-2-quinazolinyl]thio]butanamide IUPAC Name: 2-(3-benzyl-4-oxo-6-piperidin-1-ylquinazolin-2-yl)sulfanyl-N-(2-methoxyphenyl)butanamide Traditional Name: 2-[(3-benzyl-4-keto-6-piperidino-quinazolin-2-yl)thio]-N-(2-methoxyphenyl)butyramide Formula: C31H34N4O3S MolecularWeight: 542.69166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OC)SC2=NC3=C(C=C(C=C3)N4CCCCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OC)SC2=NC3=C(C=C(C=C3)N4CCCCC4)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C31H34N4O3S/c1-3-28(29(36)32-26-14-8-9-15-27(26)38-2)39-31-33-25-17-16-23(34-18-10-5-11-19-34)20-24(25)30(37)35(31)21-22-12-6-4-7-13-22/h4,6-9,12-17,20,28H,3,5,10-11,18-19,21H2,1-2H3,(H,32,36)