methyl 4-[[(R)-phenyl(thiophen-2-yl)methyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(R)-phenyl(thiophen-2-yl)methyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(R)-phenyl(2-thienyl)methyl]carbamothioylamino]butanoate CAS Name: 4-[[[[(R)-phenyl(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(R)-phenyl(thiophen-2-yl)methyl]carbamothioylamino]butanoate Traditional Name: 4-[[(R)-phenyl(2-thienyl)methyl]thiocarbamoylamino]butyric acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC(C1=CC=CC=C1)C2=CC=CS2

Isomeric SMILES

COC(=O)CCCNC(=S)N[C@H](C1=CC=CC=C1)C2=CC=CS2

InChI

InChI=1S/C17H20N2O2S2/c1-21-15(20)10-5-11-18-17(22)19-16(14-9-6-12-23-14)13-7-3-2-4-8-13/h2-4,6-9,12,16H,5,10-11H2,1H3,(H2,18,19,22)/t16-/m1/s1