ethyl 5-chloranyl-3-[2-(naphthalen-1-ylcarbamothioylamino)ethyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-chloranyl-3-[2-(naphthalen-1-ylcarbamothioylamino)ethyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-chloro-3-[2-(1-naphthylcarbamothioylamino)ethyl]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[2-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]ethyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-3-[2-(naphthalen-1-ylcarbamothioylamino)ethyl]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[2-(1-naphthylthiocarbamoylamino)ethyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C24H22ClN3O2S MolecularWeight: 451.96838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)CCNC(=S)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)CCNC(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H22ClN3O2S/c1-2-30-23(29)22-18(19-14-16(25)10-11-21(19)27-22)12-13-26-24(31)28-20-9-5-7-15-6-3-4-8-17(15)20/h3-11,14,27H,2,12-13H2,1H3,(H2,26,28,31)