[1-[(E)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate

Systemtic Name: [1-[(E)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate Openeye Name: [1-[(E)-(carbamothioylhydrazono)methyl]-2-naphthyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [1-[(E)-(carbamothioylhydrazinylidene)methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [1-[(E)-(thiocarbamoylhydrazono)methyl]-2-naphthyl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C=NNC(=S)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=S)N

InChI

InChI=1S/C21H19N3O3S/c1-2-26-16-10-7-15(8-11-16)20(25)27-19-12-9-14-5-3-4-6-17(14)18(19)13-23-24-21(22)28/h3-13H,2H2,1H3,(H3,22,24,28)/b23-13+