3-(4-methylsulfanylphenyl)-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-1-propan-2-yl-urea

Systemtic Name: 3-(4-methylsulfanylphenyl)-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-1-propan-2-yl-urea Openeye Name: 1-[(1-benzylpyrrol-2-yl)methyl]-1-isopropyl-3-(4-methylsulfanylphenyl)urea CAS Name: 3-[4-(methylthio)phenyl]-1-[[1-(phenylmethyl)-2-pyrrolyl]methyl]-1-propan-2-ylurea IUPAC Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(4-methylsulfanylphenyl)-1-propan-2-ylurea Traditional Name: 1-[(1-benzylpyrrol-2-yl)methyl]-1-isopropyl-3-[4-(methylthio)phenyl]urea Formula: C23H27N3OS MolecularWeight: 393.54498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3OS/c1-18(2)26(23(27)24-20-11-13-22(28-3)14-12-20)17-21-10-7-15-25(21)16-19-8-5-4-6-9-19/h4-15,18H,16-17H2,1-3H3,(H,24,27)