3-(3,5-dimethylphenyl)-N,N-diethyl-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: 3-(3,5-dimethylphenyl)-N,N-diethyl-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-3-(3,5-dimethylphenyl)-N,N-diethyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-N,N-diethyl-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-3-(3,5-dimethylphenyl)-N,N-diethyl-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-3-(3,5-dimethylphenyl)-N,N-diethyl-4-keto-quinazoline-7-carboxamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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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)C4=CC(=CC(=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O2S/c1-5-30(6-2)26(32)22-12-13-24-25(17-22)29-28(34-18-21-10-8-7-9-11-21)31(27(24)33)23-15-19(3)14-20(4)16-23/h7-17H,5-6,18H2,1-4H3