methyl 2-[[(1R)-1-pyridin-4-ylethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[(1R)-1-pyridin-4-ylethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(1R)-1-(4-pyridyl)ethyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(1R)-1-pyridin-4-ylethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(1R)-1-pyridin-4-ylethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(1R)-1-(4-pyridyl)ethyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

C[C@H](C1=CC=NC=C1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C18H21N3O2S2/c1-11(12-7-9-19-10-8-12)20-18(24)21-16-15(17(22)23-2)13-5-3-4-6-14(13)25-16/h7-11H,3-6H2,1-2H3,(H2,20,21,24)/t11-/m1/s1