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

Systemtic Name: 3-[[5-[3,5-bis(chloranyl)phenyl]sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]-1-methyl-1-phenyl-urea Openeye Name: 3-[[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrol-3-yl]methyl]-1-methyl-1-phenyl-urea CAS Name: 3-[[5-[(3,5-dichlorophenyl)thio]-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolyl]methyl]-1-methyl-1-phenylurea IUPAC Name: 3-[[5-(3,5-dichlorophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]-1-methyl-1-phenylurea Traditional Name: 3-[[5-[(3,5-dichlorophenyl)thio]-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrol-3-yl]methyl]-1-methyl-1-phenyl-urea Formula: C29H30Cl2N4OS MolecularWeight: 553.5457

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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)N(C)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)N(C)C4=CC=CC=C4

InChI

InChI=1S/C29H30Cl2N4OS/c1-19(2)27-26(17-33-29(36)34(4)24-8-6-5-7-9-24)20(3)35(18-21-10-12-32-13-11-21)28(27)37-25-15-22(30)14-23(31)16-25/h5-16,19H,17-18H2,1-4H3,(H,33,36)