methyl 6-[[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[(4-methoxyphenyl)-(2-thienylmethyl)carbamothioyl]amino]hexanoate CAS Name: 6-[[[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamothioyl]amino]hexanoate Traditional Name: 6-[[(4-methoxyphenyl)-(2-thenyl)thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C20H26N2O3S2 MolecularWeight: 406.56204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C20H26N2O3S2/c1-24-17-11-9-16(10-12-17)22(15-18-7-6-14-27-18)20(26)21-13-5-3-4-8-19(23)25-2/h6-7,9-12,14H,3-5,8,13,15H2,1-2H3,(H,21,26)