ethyl 3-[(2,5-dimethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[(2,5-dimethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[(2,5-dimethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate CAS Name: 3-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2,5-dimethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate Traditional Name: 3-[(2,5-dimethylphenyl)thiocarbamoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C20H21N3O2S/c1-4-25-19(24)18-17(14-7-5-6-8-15(14)21-18)23-20(26)22-16-11-12(2)9-10-13(16)3/h5-11,21H,4H2,1-3H3,(H2,22,23,26)