tert-butyl 2-chloranyl-3-(methylcarbamothioylcarbamoyl)indole-1-carboxylate

Systemtic Name: tert-butyl 2-chloranyl-3-(methylcarbamothioylcarbamoyl)indole-1-carboxylate Openeye Name: tert-butyl 2-chloro-3-(methylcarbamothioylcarbamoyl)indole-1-carboxylate CAS Name: 2-chloro-3-[[[methylamino(sulfanylidene)methyl]amino]-oxomethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-3-(methylcarbamothioylcarbamoyl)indole-1-carboxylate Traditional Name: 2-chloro-3-(methylthiocarbamoylcarbamoyl)indole-1-carboxylic acid tert-butyl ester Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Cl)C(=O)NC(=S)NC

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Cl)C(=O)NC(=S)NC

InChI

InChI=1S/C16H18ClN3O3S/c1-16(2,3)23-15(22)20-10-8-6-5-7-9(10)11(12(20)17)13(21)19-14(24)18-4/h5-8H,1-4H3,(H2,18,19,21,24)