methyl 4-[(2-indol-1-ylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(2-indol-1-ylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(2-indol-1-ylacetyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(2-indol-1-ylacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2-indol-1-ylacetyl)amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)CN1C=CC2=CC=CC=C21

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)CN1C=CC2=CC=CC=C21

InChI

InChI=1S/C16H18N4O4S/c1-24-15(23)7-6-13(21)17-16(25)19-18-14(22)10-20-9-8-11-4-2-3-5-12(11)20/h2-5,8-9H,6-7,10H2,1H3,(H,18,22)(H2,17,19,21,25)