methyl N-[4-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]carbamate

Systemtic Name: methyl N-[4-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]carbamate Openeye Name: methyl N-[4-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]carbamate CAS Name: N-[[4-(1H-benzimidazol-2-ylthio)-1-oxobutyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[4-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]carbamate Traditional Name: N-[4-(1H-benzimidazol-2-ylthio)butanoylamino]carbamic acid methyl ester Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=O)CCCSC1=NC2=CC=CC=C2N1

Isomeric SMILES

COC(=O)NNC(=O)CCCSC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C13H16N4O3S/c1-20-13(19)17-16-11(18)7-4-8-21-12-14-9-5-2-3-6-10(9)15-12/h2-3,5-6H,4,7-8H2,1H3,(H,14,15)(H,16,18)(H,17,19)