methyl 6-[[[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[[(5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]carbamothioylamino]hexanoate Traditional Name: 6-[[[(5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

C[C@@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C18H27N3O3S2/c1-12-7-8-14-13(10-12)11-15(26-14)17(23)20-21-18(25)19-9-5-3-4-6-16(22)24-2/h11-12H,3-10H2,1-2H3,(H,20,23)(H2,19,21,25)/t12-/m1/s1