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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H29N3O3S/c1-18(2)16-29-26(32)21-8-13-24-25(15-21)30-28(35-17-20-7-5-6-19(3)14-20)31(27(24)33)22-9-11-23(34-4)12-10-22/h5-15,18H,16-17H2,1-4H3,(H,29,32)