ethyl 4-[bis(2-methylpropyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[bis(2-methylpropyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-(diisobutylcarbamothioylamino)benzoate CAS Name: 4-[[[bis(2-methylpropyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[bis(2-methylpropyl)carbamothioylamino]benzoate Traditional Name: 4-(diisobutylthiocarbamoylamino)benzoic acid ethyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2S/c1-6-22-17(21)15-7-9-16(10-8-15)19-18(23)20(11-13(2)3)12-14(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,19,23)