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

Systemtic Name: N,N-diethyl-3-(4-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N,N-diethyl-3-(4-methoxyphenyl)-2-(m-tolylmethylsulfanyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N,N-diethyl-3-(4-methoxyphenyl)-2-[(3-methylphenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N,N-diethyl-3-(4-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N,N-diethyl-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:

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

Isomeric SMILES

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

InChI

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