ethyl 3-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-1H-indole-2-carboxylate CAS Name: 3-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-ethyl-6-methylphenyl)carbamothioylamino]-1H-indole-2-carboxylate Traditional Name: 3-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC2=C(NC3=CC=CC=C32)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC2=C(NC3=CC=CC=C32)C(=O)OCC)C

InChI

InChI=1S/C21H23N3O2S/c1-4-14-10-8-9-13(3)17(14)23-21(27)24-18-15-11-6-7-12-16(15)22-19(18)20(25)26-5-2/h6-12,22H,4-5H2,1-3H3,(H2,23,24,27)