N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-3-propylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-3-propylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-3-propylsulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-methylphenyl)-oxomethyl]-3-propylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-3-propylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-propylsulfonyl-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C18H28N4O4S MolecularWeight: 396.50432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCN(C1C(=O)NCCN)C(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCS(=O)(=O)N1CCCN(C1C(=O)NCCN)C(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H28N4O4S/c1-3-13-27(25,26)22-12-4-11-21(17(22)16(23)20-10-9-19)18(24)15-7-5-14(2)6-8-15/h5-8,17H,3-4,9-13,19H2,1-2H3,(H,20,23)