S-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] N-[3-(1H-indol-3-yl)propanoylamino]carbamothioate

Systemtic Name: S-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] N-[3-(1H-indol-3-yl)propanoylamino]carbamothioate Openeye Name: S-[2-(2-ethylanilino)-2-oxo-ethyl] N-[3-(1H-indol-3-yl)propanoylamino]carbamothioate CAS Name: N-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]carbamothioic acid S-[2-(2-ethylanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(2-ethylanilino)-2-oxoethyl] N-[3-(1H-indol-3-yl)propanoylamino]carbamothioate Traditional Name: N-[3-(1H-indol-3-yl)propanoylamino]thiocarbamic acid S-[2-(2-ethylanilino)-2-keto-ethyl] ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC(=O)NNC(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC(=O)NNC(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H24N4O3S/c1-2-15-7-3-5-9-18(15)24-21(28)14-30-22(29)26-25-20(27)12-11-16-13-23-19-10-6-4-8-17(16)19/h3-10,13,23H,2,11-12,14H2,1H3,(H,24,28)(H,25,27)(H,26,29)