N-(2-azanylethyl)-1-(4-tert-butylphenyl)carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-tert-butylphenyl)carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-tert-butylbenzoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-tert-butylphenyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-tert-butylbenzoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-tert-butylbenzoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C22H30N4O4S2 MolecularWeight: 478.628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4S2/c1-22(2,3)17-9-7-16(8-10-17)21(28)25-13-5-14-26(20(25)19(27)24-12-11-23)32(29,30)18-6-4-15-31-18/h4,6-10,15,20H,5,11-14,23H2,1-3H3,(H,24,27)