2-[(3-methoxyphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-isobutyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-methoxyphenyl)methylthio]-N-(2-methylpropyl)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-isobutyl-4-keto-2-(m-anisylthio)quinazoline-7-carboxamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3S/c1-19(2)16-29-26(32)22-12-13-24-25(15-22)30-28(35-18-21-10-7-11-23(14-21)34-3)31(27(24)33)17-20-8-5-4-6-9-20/h4-15,19H,16-18H2,1-3H3,(H,29,32)