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

Systemtic Name: methyl 2-(tert-butylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(tert-butylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(tert-butylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(tert-butylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(tert-butylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)NC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H22N2O2S2/c1-18(2,3)20-17(23)19-15-14(16(21)22-4)11-13(24-15)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H2,19,20,23)