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

Systemtic Name: ethyl 2-[3-(dimethylamino)propylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[3-(dimethylamino)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[3-(dimethylamino)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[3-(dimethylamino)propylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H27N3O2S2 MolecularWeight: 405.57728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2S2/c1-4-25-19(24)17-14-16(13-15-9-6-5-7-10-15)27-18(17)22-20(26)21-11-8-12-23(2)3/h5-7,9-10,14H,4,8,11-13H2,1-3H3,(H2,21,22,26)