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

Systemtic Name: ethyl 5-(acetamidomethyl)-3-[2-(phenylcarbamothioylamino)ethyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-(acetamidomethyl)-3-[2-(phenylcarbamothioylamino)ethyl]-1H-indole-2-carboxylate CAS Name: 5-(acetamidomethyl)-3-[2-[[anilino(sulfanylidene)methyl]amino]ethyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(acetamidomethyl)-3-[2-(phenylcarbamothioylamino)ethyl]-1H-indole-2-carboxylate Traditional Name: 5-(acetamidomethyl)-3-[2-(phenylthiocarbamoylamino)ethyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S/c1-3-30-22(29)21-18(11-12-24-23(31)26-17-7-5-4-6-8-17)19-13-16(14-25-15(2)28)9-10-20(19)27-21/h4-10,13,27H,3,11-12,14H2,1-2H3,(H,25,28)(H2,24,26,31)