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

Systemtic Name: methyl 2-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C25H26N4O2S2 MolecularWeight: 478.62954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC4=CC=CC=C43)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC4=CC=CC=C43)C)C(=O)OC

InChI

InChI=1S/C25H26N4O2S2/c1-5-19-13-21(24(30)31-4)23(33-19)27-25(32)26-22-15(2)28-29(16(22)3)14-18-11-8-10-17-9-6-7-12-20(17)18/h6-13H,5,14H2,1-4H3,(H2,26,27,32)