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

Systemtic Name: methyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-(diethylamino)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[4-(diethylamino)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(diethylamino)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2S2/c1-4-27(5-2)19-13-11-18(12-14-19)25-24(30)26-22-21(23(28)29-3)16-20(31-22)15-17-9-7-6-8-10-17/h6-14,16H,4-5,15H2,1-3H3,(H2,25,26,30)