2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: 2-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-benzyl-2-[(4-keto-3-veratryl-quinazolin-2-yl)thio]propionamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H27N3O4S/c1-18(25(31)28-16-19-9-5-4-6-10-19)35-27-29-22-12-8-7-11-21(22)26(32)30(27)17-20-13-14-23(33-2)24(15-20)34-3/h4-15,18H,16-17H2,1-3H3,(H,28,31)