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

Systemtic Name: 2-[2-[(3-phenoxyphenyl)-piperidin-1-yl-methyl]pyrrol-1-yl]benzenecarbothioamide Openeye Name: 2-[2-[(3-phenoxyphenyl)-(1-piperidyl)methyl]pyrrol-1-yl]benzenecarbothioamide CAS Name: 2-[2-[(3-phenoxyphenyl)-(1-piperidinyl)methyl]-1-pyrrolyl]benzenecarbothioamide IUPAC Name: 2-[2-[(3-phenoxyphenyl)-piperidin-1-ylmethyl]pyrrol-1-yl]benzenecarbothioamide Traditional Name: 2-[2-[(3-phenoxyphenyl)-piperidino-methyl]pyrrol-1-yl]thiobenzamide Formula: C29H29N3OS MolecularWeight: 467.62506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CN4C5=CC=CC=C5C(=S)N

Isomeric SMILES

C1CCN(CC1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CN4C5=CC=CC=C5C(=S)N

InChI

InChI=1S/C29H29N3OS/c30-29(34)25-15-5-6-16-26(25)32-20-10-17-27(32)28(31-18-7-2-8-19-31)22-11-9-14-24(21-22)33-23-12-3-1-4-13-23/h1,3-6,9-17,20-21,28H,2,7-8,18-19H2,(H2,30,34)