3-methyl-5-(3-phenoxyphenyl)-4-piperidin-1-yl-2-pyrrol-1-yl-benzenecarbothioamide

Systemtic Name: 3-methyl-5-(3-phenoxyphenyl)-4-piperidin-1-yl-2-pyrrol-1-yl-benzenecarbothioamide Openeye Name: 3-methyl-5-(3-phenoxyphenyl)-4-(1-piperidyl)-2-pyrrol-1-yl-benzenecarbothioamide CAS Name: 3-methyl-5-(3-phenoxyphenyl)-4-(1-piperidinyl)-2-(1-pyrrolyl)benzenecarbothioamide IUPAC Name: 3-methyl-5-(3-phenoxyphenyl)-4-piperidin-1-yl-2-pyrrol-1-ylbenzenecarbothioamide Traditional Name: 3-methyl-5-(3-phenoxyphenyl)-4-piperidino-2-pyrrol-1-yl-thiobenzamide Formula: C29H29N3OS MolecularWeight: 467.62506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1N2C=CC=C2)C(=S)N)C3=CC(=CC=C3)OC4=CC=CC=C4)N5CCCCC5

Isomeric SMILES

CC1=C(C(=CC(=C1N2C=CC=C2)C(=S)N)C3=CC(=CC=C3)OC4=CC=CC=C4)N5CCCCC5

InChI

InChI=1S/C29H29N3OS/c1-21-27(31-15-6-3-7-16-31)25(20-26(29(30)34)28(21)32-17-8-9-18-32)22-11-10-14-24(19-22)33-23-12-4-2-5-13-23/h2,4-5,8-14,17-20H,3,6-7,15-16H2,1H3,(H2,30,34)