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

Systemtic Name: 3-(3-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: N-isopropyl-3-(3-methoxyphenyl)-4-oxo-2-(p-tolylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: 3-(3-methoxyphenyl)-2-[(4-methylphenyl)methylthio]-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 3-(3-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: N-isopropyl-4-keto-3-(3-methoxyphenyl)-2-[(4-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3S/c1-17(2)28-25(31)20-12-13-23-24(14-20)29-27(34-16-19-10-8-18(3)9-11-19)30(26(23)32)21-6-5-7-22(15-21)33-4/h5-15,17H,16H2,1-4H3,(H,28,31)