N2-(4-azanylcyclohexyl)-N1-(4-methylphenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(4-methylphenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-(p-tolyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(4-methylphenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-(4-methylphenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-N-(p-tolyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C23H31N5O4S2 MolecularWeight: 505.65334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H31N5O4S2/c1-16-5-9-19(10-6-16)26-23(30)27-13-3-14-28(34(31,32)20-4-2-15-33-20)22(27)21(29)25-18-11-7-17(24)8-12-18/h2,4-6,9-10,15,17-18,22H,3,7-8,11-14,24H2,1H3,(H,25,29)(H,26,30)