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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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