methyl 2-(tert-butylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(tert-butylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(tert-butylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(tert-butylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(tert-butylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(tert-butylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)NC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H20N2O2S2/c1-17(2,3)19-16(22)18-14-12(15(20)21-4)10-13(23-14)11-8-6-5-7-9-11/h5-10H,1-4H3,(H2,18,19,22)