ethyl 3-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[(3-chloro-2-methyl-phenyl)carbamothioylamino]-1H-indole-2-carboxylate CAS Name: 3-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chloro-2-methylphenyl)carbamothioylamino]-1H-indole-2-carboxylate Traditional Name: 3-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O2S/c1-3-25-18(24)17-16(12-7-4-5-9-15(12)21-17)23-19(26)22-14-10-6-8-13(20)11(14)2/h4-10,21H,3H2,1-2H3,(H2,22,23,26)