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

Systemtic Name: methyl 4-[[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(R)-p-tolyl(2-thienyl)methyl]carbamothioylamino]butanoate CAS Name: 4-[[[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]carbamothioylamino]butanoate Traditional Name: 4-[[(R)-p-tolyl(2-thienyl)methyl]thiocarbamoylamino]butyric acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CS2)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C18H22N2O2S2/c1-13-7-9-14(10-8-13)17(15-5-4-12-24-15)20-18(23)19-11-3-6-16(21)22-2/h4-5,7-10,12,17H,3,6,11H2,1-2H3,(H2,19,20,23)/t17-/m1/s1