N-[[5-[3,5-bis(chloranyl)phenyl]sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]benzamide

Systemtic Name: N-[[5-[3,5-bis(chloranyl)phenyl]sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]benzamide Openeye Name: N-[[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrol-3-yl]methyl]benzamide CAS Name: N-[[5-[(3,5-dichlorophenyl)thio]-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolyl]methyl]benzamide IUPAC Name: N-[[5-(3,5-dichlorophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]benzamide Traditional Name: N-[[5-[(3,5-dichlorophenyl)thio]-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrol-3-yl]methyl]benzamide Formula: C28H27Cl2N3OS MolecularWeight: 524.50448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl)C(C)C)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl)C(C)C)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H27Cl2N3OS/c1-18(2)26-25(16-32-27(34)21-7-5-4-6-8-21)19(3)33(17-20-9-11-31-12-10-20)28(26)35-24-14-22(29)13-23(30)15-24/h4-15,18H,16-17H2,1-3H3,(H,32,34)