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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3C)C4=CC(=CC=C4)OC

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3C)C4=CC(=CC=C4)OC

InChI

InChI=1S/C28H29N3O3S/c1-5-30(6-2)26(32)20-14-15-24-25(16-20)29-28(35-18-21-11-8-7-10-19(21)3)31(27(24)33)22-12-9-13-23(17-22)34-4/h7-17H,5-6,18H2,1-4H3