phenyl N-cyano-4-[[(2-methoxyphenyl)carbothioylamino]methyl]-4-phenyl-piperidine-1-carboximidate

Systemtic Name: phenyl N-cyano-4-[[(2-methoxyphenyl)carbothioylamino]methyl]-4-phenyl-piperidine-1-carboximidate Openeye Name: phenyl N-cyano-4-[[(2-methoxybenzenecarbothioyl)amino]methyl]-4-phenyl-piperidine-1-carboximidate CAS Name: N-cyano-4-[[[(2-methoxyphenyl)-sulfanylidenemethyl]amino]methyl]-4-phenyl-1-piperidinecarboximidic acid phenyl ester IUPAC Name: phenyl N-cyano-4-[[(2-methoxybenzenecarbothioyl)amino]methyl]-4-phenylpiperidine-1-carboximidate Traditional Name: N-cyano-4-[[(2-methoxythiobenzoyl)amino]methyl]-4-phenyl-piperidine-1-carboximidic acid phenyl ester Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=S)NCC2(CCN(CC2)C(=NC#N)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=S)NCC2(CCN(CC2)C(=NC#N)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O2S/c1-33-25-15-9-8-14-24(25)26(35)30-20-28(22-10-4-2-5-11-22)16-18-32(19-17-28)27(31-21-29)34-23-12-6-3-7-13-23/h2-15H,16-20H2,1H3,(H,30,35)