methyl 2-[[phenyl-(piperidin-1-ylcarbothioylamino)methylidene]amino]ethanoate

Systemtic Name: methyl 2-[[phenyl-(piperidin-1-ylcarbothioylamino)methylidene]amino]ethanoate Openeye Name: methyl 2-[[phenyl-(piperidine-1-carbothioylamino)methylene]amino]acetate CAS Name: 2-[[phenyl-[[1-piperidinyl(sulfanylidene)methyl]amino]methylidene]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[phenyl-(piperidine-1-carbothioylamino)methylidene]amino]acetate Traditional Name: 2-[[phenyl-(piperidine-1-carbothioylamino)methylene]amino]acetic acid methyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN=C(C1=CC=CC=C1)NC(=S)N2CCCCC2

Isomeric SMILES

COC(=O)CN=C(C1=CC=CC=C1)NC(=S)N2CCCCC2

InChI

InChI=1S/C16H21N3O2S/c1-21-14(20)12-17-15(13-8-4-2-5-9-13)18-16(22)19-10-6-3-7-11-19/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,17,18,22)