methyl 6-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]carbamothioylamino]hexanoate CAS Name: 6-[[[[(1S)-1-(3,4-diethoxyphenyl)ethyl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]carbamothioylamino]hexanoate Traditional Name: 6-[[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=S)NCCCCCC(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](C)NC(=S)NCCCCCC(=O)OC)OCC

InChI

InChI=1S/C20H32N2O4S/c1-5-25-17-12-11-16(14-18(17)26-6-2)15(3)22-20(27)21-13-9-7-8-10-19(23)24-4/h11-12,14-15H,5-10,13H2,1-4H3,(H2,21,22,27)/t15-/m0/s1