N-(3-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide

Systemtic Name: N-(3-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide Openeye Name: N-(m-tolyl)-4-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)butanamide CAS Name: N-(3-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide IUPAC Name: N-(3-methylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide Traditional Name: N-(m-tolyl)-4-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)butyramide Formula: C18H27N3OS MolecularWeight: 333.49148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1CCCC(=O)NC2=CC=CC(=C2)C)(C)C

Isomeric SMILES

CC1CC(NC(=S)N1CCCC(=O)NC2=CC=CC(=C2)C)(C)C

InChI

InChI=1S/C18H27N3OS/c1-13-7-5-8-15(11-13)19-16(22)9-6-10-21-14(2)12-18(3,4)20-17(21)23/h5,7-8,11,14H,6,9-10,12H2,1-4H3,(H,19,22)(H,20,23)