2-[2-[(2-methoxyphenyl)-pyrrolidin-1-yl-methyl]pyrrol-1-yl]benzenecarbothioamide

Systemtic Name: 2-[2-[(2-methoxyphenyl)-pyrrolidin-1-yl-methyl]pyrrol-1-yl]benzenecarbothioamide Openeye Name: 2-[2-[(2-methoxyphenyl)-pyrrolidin-1-yl-methyl]pyrrol-1-yl]benzenecarbothioamide CAS Name: 2-[2-[(2-methoxyphenyl)-(1-pyrrolidinyl)methyl]-1-pyrrolyl]benzenecarbothioamide IUPAC Name: 2-[2-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]pyrrol-1-yl]benzenecarbothioamide Traditional Name: 2-[2-[(2-methoxyphenyl)-pyrrolidino-methyl]pyrrol-1-yl]thiobenzamide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC=CN2C3=CC=CC=C3C(=S)N)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC=CN2C3=CC=CC=C3C(=S)N)N4CCCC4

InChI

InChI=1S/C23H25N3OS/c1-27-21-13-5-3-10-18(21)22(25-14-6-7-15-25)20-12-8-16-26(20)19-11-4-2-9-17(19)23(24)28/h2-5,8-13,16,22H,6-7,14-15H2,1H3,(H2,24,28)