ethyl 1-[[(3Z)-3-[(3-methoxyphenyl)carbamothioylhydrazinylidene]-2-oxidanylidene-indol-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[(3Z)-3-[(3-methoxyphenyl)carbamothioylhydrazinylidene]-2-oxidanylidene-indol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[(3Z)-3-[(3-methoxyphenyl)carbamothioylhydrazono]-2-oxo-indolin-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[(3Z)-3-[[(3-methoxyanilino)-sulfanylidenemethyl]hydrazinylidene]-2-oxo-1-indolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(3Z)-3-[(3-methoxyphenyl)carbamothioylhydrazinylidene]-2-oxoindol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[(3Z)-2-keto-3-[(3-methoxyphenyl)thiocarbamoylhydrazono]indolin-1-yl]methyl]isonipecotic acid ethyl ester Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C3=CC=CC=C3C(=NNC(=S)NC4=CC(=CC=C4)OC)C2=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C3=CC=CC=C3/C(=N/NC(=S)NC4=CC(=CC=C4)OC)/C2=O

InChI

InChI=1S/C25H29N5O4S/c1-3-34-24(32)17-11-13-29(14-12-17)16-30-21-10-5-4-9-20(21)22(23(30)31)27-28-25(35)26-18-7-6-8-19(15-18)33-2/h4-10,15,17H,3,11-14,16H2,1-2H3,(H2,26,28,35)/b27-22-