methyl 6-[[(S)-(4-ethylphenyl)-thiophen-2-yl-methyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(S)-(4-ethylphenyl)-thiophen-2-yl-methyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(S)-(4-ethylphenyl)-(2-thienyl)methyl]carbamothioylamino]hexanoate CAS Name: 6-[[[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]carbamothioylamino]hexanoate Traditional Name: 6-[[(S)-(4-ethylphenyl)-(2-thienyl)methyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C2=CC=CS2)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C21H28N2O2S2/c1-3-16-10-12-17(13-11-16)20(18-8-7-15-27-18)23-21(26)22-14-6-4-5-9-19(24)25-2/h7-8,10-13,15,20H,3-6,9,14H2,1-2H3,(H2,22,23,26)/t20-/m0/s1