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

Systemtic Name: ethyl 4-[[2-(1-methylbenzimidazol-2-yl)ethanoylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-(1-methylbenzimidazol-2-yl)acetyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(1-methyl-2-benzimidazolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(1-methylbenzimidazol-2-yl)acetyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-(1-methylbenzimidazol-2-yl)acetyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C20H21N5O3S/c1-3-28-19(27)13-8-10-14(11-9-13)21-20(29)24-23-18(26)12-17-22-15-6-4-5-7-16(15)25(17)2/h4-11H,3,12H2,1-2H3,(H,23,26)(H2,21,24,29)