ethyl 4-[[3-(dimethylamino)propyl-(phenylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[3-(dimethylamino)propyl-(phenylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[benzyl-[3-(dimethylamino)propyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[3-(dimethylamino)propyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[benzyl-[3-(dimethylamino)propyl]carbamothioyl]amino]benzoate Traditional Name: 4-[[benzyl-[3-(dimethylamino)propyl]thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C22H29N3O2S MolecularWeight: 399.54956

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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=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C22H29N3O2S/c1-4-27-21(26)19-11-13-20(14-12-19)23-22(28)25(16-8-15-24(2)3)17-18-9-6-5-7-10-18/h5-7,9-14H,4,8,15-17H2,1-3H3,(H,23,28)