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

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-isopropyl-2-(o-tolylmethylsulfanyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-methylphenyl)methylthio]-4-oxo-3-(phenylmethyl)-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-isopropyl-4-keto-2-[(2-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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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)N2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)NC(C)C)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-18(2)28-25(31)21-13-14-23-24(15-21)29-27(33-17-22-12-8-7-9-19(22)3)30(26(23)32)16-20-10-5-4-6-11-20/h4-15,18H,16-17H2,1-3H3,(H,28,31)