N-[2-(4-sulfamoylphenyl)ethyl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide

Systemtic Name: N-[2-(4-sulfamoylphenyl)ethyl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide Openeye Name: N-[2-(4-sulfamoylphenyl)ethyl]-3-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)propanamide CAS Name: N-[2-(4-sulfamoylphenyl)ethyl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide IUPAC Name: N-[2-(4-sulfamoylphenyl)ethyl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide Traditional Name: N-[2-(4-sulfamoylphenyl)ethyl]-3-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)propionamide Formula: C18H28N4O3S2 MolecularWeight: 412.56992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1CCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)(C)C

Isomeric SMILES

CC1CC(NC(=S)N1CCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)(C)C

InChI

InChI=1S/C18H28N4O3S2/c1-13-12-18(2,3)21-17(26)22(13)11-9-16(23)20-10-8-14-4-6-15(7-5-14)27(19,24)25/h4-7,13H,8-12H2,1-3H3,(H,20,23)(H,21,26)(H2,19,24,25)