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

Systemtic Name: ethyl 4-[(2-indol-1-ylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[(2-indol-1-ylacetyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-indol-1-ylacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2-indol-1-ylacetyl)amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-2-25-16(24)8-7-14(22)18-17(26)20-19-15(23)11-21-10-9-12-5-3-4-6-13(12)21/h3-6,9-10H,2,7-8,11H2,1H3,(H,19,23)(H2,18,20,22,26)