ethyl 4-[[2-dimethylaminoethyl(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-dimethylaminoethyl(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[2-dimethylaminoethyl(2-thienylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[2-dimethylaminoethyl(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-dimethylaminoethyl(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[2-dimethylaminoethyl(2-thenyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C19H25N3O2S2 MolecularWeight: 391.5507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2S2/c1-4-24-18(23)15-7-9-16(10-8-15)20-19(25)22(12-11-21(2)3)14-17-6-5-13-26-17/h5-10,13H,4,11-12,14H2,1-3H3,(H,20,25)