ethyl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2-methoxyphenyl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(2-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2-methoxyphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(o-anisylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=CC=C3OC

InChI

InChI=1S/C23H24N2O3S2/c1-3-28-22(26)19-14-18(13-16-9-5-4-6-10-16)30-21(19)25-23(29)24-15-17-11-7-8-12-20(17)27-2/h4-12,14H,3,13,15H2,1-2H3,(H2,24,25,29)