methyl 5-methyl-2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C22H20N4O2S2/c1-14-10-19(21(27)28-2)20(30-14)25-22(29)24-17-11-23-26(13-17)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-11,13H,12H2,1-2H3,(H2,24,25,29)