ethyl 4-[2-(2,5-dimethylpyrrol-1-yl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(2,5-dimethylpyrrol-1-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(2,5-dimethylpyrrol-1-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(2,5-dimethyl-1-pyrrolyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,5-dimethylpyrrol-1-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCN2C(=CC=C2C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCN2C(=CC=C2C)C

InChI

InChI=1S/C18H23N3O2S/c1-4-23-17(22)15-7-9-16(10-8-15)20-18(24)19-11-12-21-13(2)5-6-14(21)3/h5-10H,4,11-12H2,1-3H3,(H2,19,20,24)