ethyl 3-[(2-methylphenyl)carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[(2-methylphenyl)carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-(o-tolylcarbamothioylamino)-1H-indole-2-carboxylate CAS Name: 3-[[(2-methylanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-methylphenyl)carbamothioylamino]-1H-indole-2-carboxylate Traditional Name: 3-(o-tolylthiocarbamoylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C19H19N3O2S/c1-3-24-18(23)17-16(13-9-5-7-11-15(13)20-17)22-19(25)21-14-10-6-4-8-12(14)2/h4-11,20H,3H2,1-2H3,(H2,21,22,25)