N-(2,5-diethoxyphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide

Systemtic Name: N-(2,5-diethoxyphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide Openeye Name: N-(2,5-diethoxyphenyl)-4-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)butanamide CAS Name: N-(2,5-diethoxyphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide IUPAC Name: N-(2,5-diethoxyphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide Traditional Name: N-(2,5-diethoxyphenyl)-4-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)butyramide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)CCCN2C(CC(NC2=S)(C)C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)CCCN2C(CC(NC2=S)(C)C)C

InChI

InChI=1S/C21H33N3O3S/c1-6-26-16-10-11-18(27-7-2)17(13-16)22-19(25)9-8-12-24-15(3)14-21(4,5)23-20(24)28/h10-11,13,15H,6-9,12,14H2,1-5H3,(H,22,25)(H,23,28)