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

Systemtic Name: methyl 2-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C30H28N4O2S2 MolecularWeight: 540.69892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=S)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=S)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C30H28N4O2S2/c1-19-27(20(2)34(33-19)18-23-14-9-13-22-12-7-8-15-25(22)23)31-30(37)32-28-26(29(35)36-3)17-24(38-28)16-21-10-5-4-6-11-21/h4-15,17H,16,18H2,1-3H3,(H2,31,32,37)