N-(2-azanylethyl)-1-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(5-methylisoxazole-3-carbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(5-methyl-3-isoxazolyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(5-methylisoxazole-3-carbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C16H21N5O5S2 MolecularWeight: 427.49844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H21N5O5S2/c1-11-10-12(19-26-11)16(23)20-7-3-8-21(15(20)14(22)18-6-5-17)28(24,25)13-4-2-9-27-13/h2,4,9-10,15H,3,5-8,17H2,1H3,(H,18,22)