4-oxidanylidene-3-(phenylmethyl)-2-(phenylmethylsulfanyl)-N-propan-2-yl-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-2-(phenylmethylsulfanyl)-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-benzylsulfanyl-N-isopropyl-4-oxo-quinazoline-7-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-2-(phenylmethylthio)-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-benzylsulfanyl-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-(benzylthio)-N-isopropyl-4-keto-quinazoline-7-carboxamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S/c1-18(2)27-24(30)21-13-14-22-23(15-21)28-26(32-17-20-11-7-4-8-12-20)29(25(22)31)16-19-9-5-3-6-10-19/h3-15,18H,16-17H2,1-2H3,(H,27,30)