ethyl 4-[[2-dimethylaminoethyl(1-pyridin-4-ylethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-dimethylaminoethyl(1-pyridin-4-ylethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[2-dimethylaminoethyl-[1-(4-pyridyl)ethyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[2-dimethylaminoethyl(1-pyridin-4-ylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-dimethylaminoethyl(1-pyridin-4-ylethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[2-dimethylaminoethyl-[1-(4-pyridyl)ethyl]thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCN(C)C)C(C)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCN(C)C)C(C)C2=CC=NC=C2

InChI

InChI=1S/C21H28N4O2S/c1-5-27-20(26)18-6-8-19(9-7-18)23-21(28)25(15-14-24(3)4)16(2)17-10-12-22-13-11-17/h6-13,16H,5,14-15H2,1-4H3,(H,23,28)