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

Systemtic Name: ethyl 5-methyl-3-[2-(naphthalen-1-ylcarbamothioylamino)ethyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-methyl-3-[2-(1-naphthylcarbamothioylamino)ethyl]-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[2-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]ethyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-[2-(naphthalen-1-ylcarbamothioylamino)ethyl]-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[2-(1-naphthylthiocarbamoylamino)ethyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C25H25N3O2S MolecularWeight: 431.5499

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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=CC4=CC=CC=C43

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2S/c1-3-30-24(29)23-19(20-15-16(2)11-12-22(20)27-23)13-14-26-25(31)28-21-10-6-8-17-7-4-5-9-18(17)21/h4-12,15,27H,3,13-14H2,1-2H3,(H2,26,28,31)