4-(2-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)-2-pyrrol-1-yl-benzenecarbothioamide

Systemtic Name: 4-(2-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)-2-pyrrol-1-yl-benzenecarbothioamide Openeye Name: 4-(2-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)-2-pyrrol-1-yl-benzenecarbothioamide CAS Name: 4-(2-methoxyphenyl)-3-(1-pyrrolidinylmethyl)-2-(1-pyrrolyl)benzenecarbothioamide IUPAC Name: 4-(2-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)-2-pyrrol-1-ylbenzenecarbothioamide Traditional Name: 4-(2-methoxyphenyl)-3-(pyrrolidinomethyl)-2-pyrrol-1-yl-thiobenzamide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(C(=C(C=C2)C(=S)N)N3C=CC=C3)CN4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=C(C(=C(C=C2)C(=S)N)N3C=CC=C3)CN4CCCC4

InChI

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