methyl 2-[di(butan-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[di(butan-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(disec-butylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[di(butan-2-yl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[di(butan-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(disec-butylthiocarbamoylamino)-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:

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

Isomeric SMILES

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

InChI

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