ethyl N-[[2-[2-(dimethylamino)ethanoylamino]-5-methylsulfonyl-phenyl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[2-[2-(dimethylamino)ethanoylamino]-5-methylsulfonyl-phenyl]carbamothioyl]carbamate Openeye Name: ethyl N-[[2-[[2-(dimethylamino)acetyl]amino]-5-methylsulfonyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[2-(dimethylamino)-1-oxoethyl]amino]-5-methylsulfonylanilino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[2-[[2-(dimethylamino)acetyl]amino]-5-methylsulfonylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-[[2-(dimethylamino)acetyl]amino]-5-mesyl-phenyl]thiocarbamoyl]carbamic acid ethyl ester Formula: C15H22N4O5S2 MolecularWeight: 402.48898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=C(C=CC(=C1)S(=O)(=O)C)NC(=O)CN(C)C

Isomeric SMILES

CCOC(=O)NC(=S)NC1=C(C=CC(=C1)S(=O)(=O)C)NC(=O)CN(C)C

InChI

InChI=1S/C15H22N4O5S2/c1-5-24-15(21)18-14(25)17-12-8-10(26(4,22)23)6-7-11(12)16-13(20)9-19(2)3/h6-8H,5,9H2,1-4H3,(H,16,20)(H2,17,18,21,25)