ethyl 3-[2-(cyclohexylcarbamothioylamino)ethyl]-5-methyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-(cyclohexylcarbamothioylamino)ethyl]-5-methyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[2-(cyclohexylcarbamothioylamino)ethyl]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]ethyl]-5-methyl-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(cyclohexylcarbamothioylamino)ethyl]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[2-(cyclohexylthiocarbamoylamino)ethyl]-5-methyl-1H-indole-2-carboxylic acid ethyl ester Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-3-26-20(25)19-16(17-13-14(2)9-10-18(17)24-19)11-12-22-21(27)23-15-7-5-4-6-8-15/h9-10,13,15,24H,3-8,11-12H2,1-2H3,(H2,22,23,27)