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

Systemtic Name: ethyl 5-methyl-3-[2-(phenylcarbamothioylamino)ethyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-methyl-3-[2-(phenylcarbamothioylamino)ethyl]-1H-indole-2-carboxylate CAS Name: 3-[2-[[anilino(sulfanylidene)methyl]amino]ethyl]-5-methyl-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-[2-(phenylcarbamothioylamino)ethyl]-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[2-(phenylthiocarbamoylamino)ethyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)CCNC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)CCNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/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/h4-10,13,24H,3,11-12H2,1-2H3,(H2,22,23,27)