(2S)-2-(4-ethoxyphenyl)-N-phenethyl-pyrrolidine-1-carbothioamide

Systemtic Name: (2S)-2-(4-ethoxyphenyl)-N-phenethyl-pyrrolidine-1-carbothioamide Openeye Name: (2S)-2-(4-ethoxyphenyl)-N-phenethyl-pyrrolidine-1-carbothioamide CAS Name: (2S)-2-(4-ethoxyphenyl)-N-phenethyl-1-pyrrolidinecarbothioamide IUPAC Name: (2S)-2-(4-ethoxyphenyl)-N-phenethylpyrrolidine-1-carbothioamide Traditional Name: (2S)-N-phenethyl-2-p-phenetyl-pyrrolidine-1-carbothioamide Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2CCCN2C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2OS/c1-2-24-19-12-10-18(11-13-19)20-9-6-16-23(20)21(25)22-15-14-17-7-4-3-5-8-17/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3,(H,22,25)/t20-/m0/s1