ethyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(diisobutylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[bis(2-methylpropyl)amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(diisobutylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H32N2O2S2 MolecularWeight: 432.64238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N(CC(C)C)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N(CC(C)C)CC(C)C

InChI

InChI=1S/C23H32N2O2S2/c1-7-27-22(26)20-19(18-11-9-8-10-12-18)17(6)29-21(20)24-23(28)25(13-15(2)3)14-16(4)5/h8-12,15-16H,7,13-14H2,1-6H3,(H,24,28)