N-(2-azanylethyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3,5-dimethylisoxazole-4-carbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3,5-dimethyl-4-isoxazolyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3,5-dimethylisoxazole-4-carbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C17H23N5O5S2 MolecularWeight: 441.52502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O5S2/c1-11-14(12(2)27-20-11)17(24)21-8-4-9-22(16(21)15(23)19-7-6-18)29(25,26)13-5-3-10-28-13/h3,5,10,16H,4,6-9,18H2,1-2H3,(H,19,23)