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

Systemtic Name: methyl 2-[bis(2-methylpropyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(diisobutylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[bis(2-methylpropyl)amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[bis(2-methylpropyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(diisobutylthiocarbamoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H32N2O2S2 MolecularWeight: 396.61028

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N(CC(C)C)CC(C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N(CC(C)C)CC(C)C

InChI

InChI=1S/C20H32N2O2S2/c1-12(2)10-22(11-13(3)4)20(25)21-18-17(19(23)24-6)15-8-7-14(5)9-16(15)26-18/h12-14H,7-11H2,1-6H3,(H,21,25)