ethyl 4-[[2-(1-methylpyrrol-2-yl)ethanoylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(1-methylpyrrol-2-yl)ethanoylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(1-methyl-2-pyrrolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=CC=CN2C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=CC=CN2C

InChI

InChI=1S/C17H20N4O3S/c1-3-24-16(23)12-6-8-13(9-7-12)18-17(25)20-19-15(22)11-14-5-4-10-21(14)2/h4-10H,3,11H2,1-2H3,(H,19,22)(H2,18,20,25)