ethyl 4-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]benzoate CAS Name: 4-[[[[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]benzoate Traditional Name: 4-[[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C26H26N4O2S/c1-4-32-25(31)20-12-14-22(15-13-20)27-26(33)28-24-17(2)29-30(18(24)3)16-21-10-7-9-19-8-5-6-11-23(19)21/h5-15H,4,16H2,1-3H3,(H2,27,28,33)