N,N-diethyl-4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenyl-methyl]benzenecarbothioamide

Systemtic Name: N,N-diethyl-4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenyl-methyl]benzenecarbothioamide Openeye Name: N,N-diethyl-4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenyl-methyl]benzenecarbothioamide CAS Name: N,N-diethyl-4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenylmethyl]benzenecarbothioamide IUPAC Name: N,N-diethyl-4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenylmethyl]benzenecarbothioamide Traditional Name: N,N-diethyl-4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenyl-methyl]thiobenzamide Formula: C33H38N2S MolecularWeight: 494.73322

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)C1=CC=C(C=C1)C(=C2CC3CCC(C2)N3CCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN(CC)C(=S)C1=CC=C(C=C1)C(=C2CC3CCC(C2)N3CCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H38N2S/c1-3-34(4-2)33(36)28-17-15-27(16-18-28)32(26-13-9-6-10-14-26)29-23-30-19-20-31(24-29)35(30)22-21-25-11-7-5-8-12-25/h5-18,30-31H,3-4,19-24H2,1-2H3