ethyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(diisobutylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[bis(2-methylpropyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-(diisobutylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N(CC(C)C)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N(CC(C)C)CC(C)C

InChI

InChI=1S/C22H30N2O2S2/c1-6-26-21(25)18-12-19(17-10-8-7-9-11-17)28-20(18)23-22(27)24(13-15(2)3)14-16(4)5/h7-12,15-16H,6,13-14H2,1-5H3,(H,23,27)