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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-N-isopropyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-4-oxo-3-(phenylmethyl)-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-[(2,5-dimethylbenzyl)thio]-N-isopropyl-4-keto-quinazoline-7-carboxamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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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)N2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NC(C)C)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2S/c1-18(2)29-26(32)22-12-13-24-25(15-22)30-28(34-17-23-14-19(3)10-11-20(23)4)31(27(24)33)16-21-8-6-5-7-9-21/h5-15,18H,16-17H2,1-4H3,(H,29,32)