ethyl 2-[[2-(1-methylpyrrol-2-yl)ethanoylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(1-methylpyrrol-2-yl)ethanoylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[2-(1-methyl-2-pyrrolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)CC3=CC=CN3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)CC3=CC=CN3C

InChI

InChI=1S/C22H24N4O3S2/c1-3-29-21(28)18-14-17(12-15-8-5-4-6-9-15)31-20(18)23-22(30)25-24-19(27)13-16-10-7-11-26(16)2/h4-11,14H,3,12-13H2,1-2H3,(H,24,27)(H2,23,25,30)