methyl 4-[[2-(1H-indol-3-yl)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(1H-indol-3-yl)ethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(1H-indol-3-yl)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(1H-indol-3-yl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1H-indol-3-yl)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(1H-indol-3-yl)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)CC1=CNC2=CC=CC=C21

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)CC1=CNC2=CC=CC=C21

InChI

InChI=1S/C16H20N4O3S/c1-23-15(22)7-4-8-17-16(24)20-19-14(21)9-11-10-18-13-6-3-2-5-12(11)13/h2-3,5-6,10,18H,4,7-9H2,1H3,(H,19,21)(H2,17,20,24)