ethyl 4-[3-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[(Z)-(butylcarbamothioylhydrazono)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(Z)-[[butylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(Z)-(butylthiocarbamoylhydrazono)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=C(N(C(=C1)C)C2=CC=C(C=C2)C(=O)OCC)C

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=C(N(C(=C1)C)C2=CC=C(C=C2)C(=O)OCC)C

InChI

InChI=1S/C21H28N4O2S/c1-5-7-12-22-21(28)24-23-14-18-13-15(3)25(16(18)4)19-10-8-17(9-11-19)20(26)27-6-2/h8-11,13-14H,5-7,12H2,1-4H3,(H2,22,24,28)/b23-14-