ethyl 5-chloranyl-3-(cyclohexylcarbamothioylamino)-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-chloranyl-3-(cyclohexylcarbamothioylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5-chloro-3-(cyclohexylcarbamothioylamino)-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-3-(cyclohexylcarbamothioylamino)-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-(cyclohexylthiocarbamoylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=S)NC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=S)NC3CCCCC3

InChI

InChI=1S/C18H22ClN3O2S/c1-2-24-17(23)16-15(13-10-11(19)8-9-14(13)21-16)22-18(25)20-12-6-4-3-5-7-12/h8-10,12,21H,2-7H2,1H3,(H2,20,22,25)