ethyl 2-[[3-imidazol-1-ylpropyl-[(4-methylphenyl)methyl]carbamothioyl]amino]ethanoate

Systemtic Name: ethyl 2-[[3-imidazol-1-ylpropyl-[(4-methylphenyl)methyl]carbamothioyl]amino]ethanoate Openeye Name: ethyl 2-[[3-imidazol-1-ylpropyl(p-tolylmethyl)carbamothioyl]amino]acetate CAS Name: 2-[[[3-(1-imidazolyl)propyl-[(4-methylphenyl)methyl]amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-imidazol-1-ylpropyl-[(4-methylphenyl)methyl]carbamothioyl]amino]acetate Traditional Name: 2-[[3-imidazol-1-ylpropyl-(4-methylbenzyl)thiocarbamoyl]amino]acetic acid ethyl ester Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N(CCCN1C=CN=C1)CC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CNC(=S)N(CCCN1C=CN=C1)CC2=CC=C(C=C2)C

InChI

InChI=1S/C19H26N4O2S/c1-3-25-18(24)13-21-19(26)23(11-4-10-22-12-9-20-15-22)14-17-7-5-16(2)6-8-17/h5-9,12,15H,3-4,10-11,13-14H2,1-2H3,(H,21,26)