methyl 3-chloranyl-6-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C27H23ClN4O2S2 MolecularWeight: 535.08012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=S)NC4=CC5=C(C=C4)C(=C(S5)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=S)NC4=CC5=C(C=C4)C(=C(S5)C(=O)OC)Cl

InChI

InChI=1S/C27H23ClN4O2S2/c1-15-24(16(2)32(31-15)14-18-9-6-8-17-7-4-5-10-20(17)18)30-27(35)29-19-11-12-21-22(13-19)36-25(23(21)28)26(33)34-3/h4-13H,14H2,1-3H3,(H2,29,30,35)