methyl 2-[bis(2-methylpropyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[bis(2-methylpropyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(diisobutylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[bis(2-methylpropyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[bis(2-methylpropyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(diisobutylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H30N2O2S2 MolecularWeight: 382.5837

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

Isomeric SMILES

CC(C)CN(CC(C)C)C(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

InChI

InChI=1S/C19H30N2O2S2/c1-12(2)10-21(11-13(3)4)19(24)20-17-16(18(22)23-5)14-8-6-7-9-15(14)25-17/h12-13H,6-11H2,1-5H3,(H,20,24)