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

Systemtic Name: propyl 4-[(2-indol-1-ylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[(2-indol-1-ylacetyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[(2-indol-1-ylacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2-indol-1-ylacetyl)amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-2-11-26-17(25)8-7-15(23)19-18(27)21-20-16(24)12-22-10-9-13-5-3-4-6-14(13)22/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,20,24)(H2,19,21,23,27)