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

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: N-isopropyl-2-(o-tolylmethylsulfanyl)-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(2-methylphenyl)methylthio]-4-oxo-3-phenethyl-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-4-oxo-3-phenethyl-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: N-isopropyl-4-keto-2-[(2-methylbenzyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)NC(C)C)C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)NC(C)C)C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2S/c1-19(2)29-26(32)22-13-14-24-25(17-22)30-28(34-18-23-12-8-7-9-20(23)3)31(27(24)33)16-15-21-10-5-4-6-11-21/h4-14,17,19H,15-16,18H2,1-3H3,(H,29,32)