ethyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-(diethylamino)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-(diethylamino)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(diethylamino)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H29N3O2S2 MolecularWeight: 467.64666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H29N3O2S2/c1-4-28(5-2)20-14-12-19(13-15-20)26-25(31)27-23-22(24(29)30-6-3)17-21(32-23)16-18-10-8-7-9-11-18/h7-15,17H,4-6,16H2,1-3H3,(H2,26,27,31)