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

Systemtic Name: ethyl 2-[di(butan-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(disec-butylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[di(butan-2-yl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[di(butan-2-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-(disec-butylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2S2/c1-6-15(4)24(16(5)7-2)22(27)23-20-18(21(25)26-8-3)14-19(28-20)17-12-10-9-11-13-17/h9-16H,6-8H2,1-5H3,(H,23,27)