1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)-1-propyl-urea

Systemtic Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)-1-propyl-urea Openeye Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)-1-propyl-urea CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-3-[4-(methylthio)phenyl]-1-propylurea IUPAC Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)-1-propylurea Traditional Name: 1-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-3-[4-(methylthio)phenyl]-1-propyl-urea Formula: C23H26ClN3OS MolecularWeight: 427.99004

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H26ClN3OS/c1-3-13-27(23(28)25-20-9-11-22(29-2)12-10-20)17-21-8-5-14-26(21)16-18-6-4-7-19(24)15-18/h4-12,14-15H,3,13,16-17H2,1-2H3,(H,25,28)