N,3-bis(2-methylpropyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: N,3-bis(2-methylpropyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-N,3-diisobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: N,3-bis(2-methylpropyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-N,3-bis(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-N,3-diisobutyl-4-keto-quinazoline-7-carboxamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C24H29N3O2S/c1-16(2)13-25-22(28)19-10-11-20-21(12-19)26-24(27(23(20)29)14-17(3)4)30-15-18-8-6-5-7-9-18/h5-12,16-17H,13-15H2,1-4H3,(H,25,28)