methyl 2-(heptan-2-ylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(heptan-2-ylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-(1-methylhexylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(heptan-2-ylamino)-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(heptan-2-ylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(1-methylhexylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H30N2O2S2 MolecularWeight: 382.5837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OC

Isomeric SMILES

CCCCCC(C)NC(=S)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OC

InChI

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