3-[(3,4-dimethoxyphenyl)methyl]-2-[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-ethyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[[1-(2-ethyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-(2-ethylpiperidino)-2-keto-1-methyl-ethyl]thio]-3-veratryl-quinazolin-4-one Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H33N3O4S/c1-5-20-10-8-9-15-29(20)25(31)18(2)35-27-28-22-12-7-6-11-21(22)26(32)30(27)17-19-13-14-23(33-3)24(16-19)34-4/h6-7,11-14,16,18,20H,5,8-10,15,17H2,1-4H3