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

Systemtic Name: ethyl 2-[bis(2-methylpropyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(diisobutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[[bis(2-methylpropyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[bis(2-methylpropyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(diisobutylthiocarbamoylamino)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(=C1)CC2=CC=CC=C2)NC(=S)N(CC(C)C)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N(CC(C)C)CC(C)C

InChI

InChI=1S/C23H32N2O2S2/c1-6-27-22(26)20-13-19(12-18-10-8-7-9-11-18)29-21(20)24-23(28)25(14-16(2)3)15-17(4)5/h7-11,13,16-17H,6,12,14-15H2,1-5H3,(H,24,28)