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

Systemtic Name: ethyl 2-[di(butan-2-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(disec-butylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[[di(butan-2-yl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[di(butan-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(disec-butylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H32N2O2S2 MolecularWeight: 432.64238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC(C)N(C(C)CC)C(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C23H32N2O2S2/c1-6-16(4)25(17(5)7-2)23(28)24-21-20(22(26)27-8-3)15-19(29-21)14-18-12-10-9-11-13-18/h9-13,15-17H,6-8,14H2,1-5H3,(H,24,28)