ethyl 4-[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[3-(dimethylamino)propyl-(2-thienylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[3-(dimethylamino)propyl-(2-thenyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C20H27N3O2S2 MolecularWeight: 405.57728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN(C)C)CC2=CC=CS2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN(C)C)CC2=CC=CS2

InChI

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