N2-(2-azanylethyl)-N1-(4-propan-2-ylphenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(4-propan-2-ylphenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(4-isopropylphenyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(4-propan-2-ylphenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-p-cumenyl-3-(2-thienylsulfonyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H29N5O4S2/c1-15(2)16-6-8-17(9-7-16)24-21(28)25-12-4-13-26(20(25)19(27)23-11-10-22)32(29,30)18-5-3-14-31-18/h3,5-9,14-15,20H,4,10-13,22H2,1-2H3,(H,23,27)(H,24,28)