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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NC(C)C)C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NC(C)C)C(=O)N2CCC4=CC=CC=C4

InChI

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