2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-3-phenethyl-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-4-oxo-3-phenethyl-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-3-phenethyl-N-propylquinazoline-7-carboxamide Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-4-keto-3-phenethyl-N-propyl-quinazoline-7-carboxamide Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC(=C3)C)C)CCC4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC(=C3)C)C)CCC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O2S/c1-4-15-30-27(33)23-12-13-25-26(18-23)31-29(35-19-24-17-20(2)10-11-21(24)3)32(28(25)34)16-14-22-8-6-5-7-9-22/h5-13,17-18H,4,14-16,19H2,1-3H3,(H,30,33)