methyl N-[(4-morpholin-4-ylsulfonylphenyl)carbonylcarbamothioylamino]carbamate

Systemtic Name: methyl N-[(4-morpholin-4-ylsulfonylphenyl)carbonylcarbamothioylamino]carbamate Openeye Name: methyl N-[(4-morpholinosulfonylbenzoyl)carbamothioylamino]carbamate CAS Name: N-[[[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(4-morpholin-4-ylsulfonylbenzoyl)carbamothioylamino]carbamate Traditional Name: N-[(4-morpholinosulfonylbenzoyl)thiocarbamoylamino]carbamic acid methyl ester Formula: C14H18N4O6S2 MolecularWeight: 402.44592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

COC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C14H18N4O6S2/c1-23-14(20)17-16-13(25)15-12(19)10-2-4-11(5-3-10)26(21,22)18-6-8-24-9-7-18/h2-5H,6-9H2,1H3,(H,17,20)(H2,15,16,19,25)