2-[(2-phenylpyrrolidin-1-yl)methyl]-3-pyrrol-1-yl-benzenecarbothioamide

Systemtic Name: 2-[(2-phenylpyrrolidin-1-yl)methyl]-3-pyrrol-1-yl-benzenecarbothioamide Openeye Name: 2-[(2-phenylpyrrolidin-1-yl)methyl]-3-pyrrol-1-yl-benzenecarbothioamide CAS Name: 2-[(2-phenyl-1-pyrrolidinyl)methyl]-3-(1-pyrrolyl)benzenecarbothioamide IUPAC Name: 2-[(2-phenylpyrrolidin-1-yl)methyl]-3-pyrrol-1-ylbenzenecarbothioamide Traditional Name: 2-[(2-phenylpyrrolidino)methyl]-3-pyrrol-1-yl-thiobenzamide Formula: C22H23N3S MolecularWeight: 361.50312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=C(C=CC=C2N3C=CC=C3)C(=S)N)C4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)CC2=C(C=CC=C2N3C=CC=C3)C(=S)N)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3S/c23-22(26)18-10-6-11-21(24-13-4-5-14-24)19(18)16-25-15-7-12-20(25)17-8-2-1-3-9-17/h1-6,8-11,13-14,20H,7,12,15-16H2,(H2,23,26)