methyl 2-[3-(dimethylamino)propylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(dimethylamino)propylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[3-(dimethylamino)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[3-(dimethylamino)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[3-(dimethylamino)propylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H25N3O2S2 MolecularWeight: 391.5507

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN(C)CCCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H25N3O2S2/c1-22(2)11-7-10-20-19(25)21-17-16(18(23)24-3)13-15(26-17)12-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3,(H2,20,21,25)