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

Systemtic Name: methyl 3-chloranyl-6-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C25H19ClN4O2S2 MolecularWeight: 507.02696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC5=CC=CC=C54)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC5=CC=CC=C54)Cl

InChI

InChI=1S/C25H19ClN4O2S2/c1-32-24(31)23-22(26)20-10-9-17(11-21(20)34-23)28-25(33)29-18-12-27-30(14-18)13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12,14H,13H2,1H3,(H2,28,29,33)