methyl 4-[[(E)-naphthalen-1-ylmethylideneamino]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(E)-naphthalen-1-ylmethylideneamino]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(E)-1-naphthylmethyleneamino]carbamothioylamino]benzoate CAS Name: 4-[[[(2E)-2-(1-naphthalenylmethylidene)hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-naphthalen-1-ylmethylideneamino]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-1-naphthylmethyleneamino]thiocarbamoylamino]benzoic acid methyl ester Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NN=CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H17N3O2S/c1-25-19(24)15-9-11-17(12-10-15)22-20(26)23-21-13-16-7-4-6-14-5-2-3-8-18(14)16/h2-13H,1H3,(H2,22,23,26)/b21-13+