methyl 2-[di(butan-2-yl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[di(butan-2-yl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(disec-butylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[di(butan-2-yl)amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[di(butan-2-yl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-(disec-butylthiocarbamoylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H28N2O2S2 MolecularWeight: 356.54642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N(C(C)CC)C(C)CC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N(C(C)CC)C(C)CC)C(=O)OC

InChI

InChI=1S/C17H28N2O2S2/c1-7-11(4)19(12(5)8-2)17(22)18-15-14(16(20)21-6)10-13(9-3)23-15/h10-12H,7-9H2,1-6H3,(H,18,22)