S-(phenylmethylsulfanyl) 4-[[4-(dimethylaminomethyl)phenyl]methylidene]piperidine-1-carbothioate

Systemtic Name: S-(phenylmethylsulfanyl) 4-[[4-(dimethylaminomethyl)phenyl]methylidene]piperidine-1-carbothioate Openeye Name: S-benzylsulfanyl 4-[[4-(dimethylaminomethyl)phenyl]methylene]piperidine-1-carbothioate CAS Name: 4-[[4-(dimethylaminomethyl)phenyl]methylidene]-1-piperidinecarbothioic acid S-(phenylmethylthio) ester IUPAC Name: S-benzylsulfanyl 4-[[4-(dimethylaminomethyl)phenyl]methylidene]piperidine-1-carbothioate Traditional Name: 4-[4-(dimethylaminomethyl)benzylidene]piperidine-1-carbothioic acid S-(benzylthio) ester Formula: C23H28N2OS2 MolecularWeight: 412.61122

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)C=C2CCN(CC2)C(=O)SSCC3=CC=CC=C3

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)C=C2CCN(CC2)C(=O)SSCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2OS2/c1-24(2)17-21-10-8-19(9-11-21)16-20-12-14-25(15-13-20)23(26)28-27-18-22-6-4-3-5-7-22/h3-11,16H,12-15,17-18H2,1-2H3