1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-3-(4-methylsulfanylphenyl)urea

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-methylsulfanylphenyl)urea CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[4-(methylthio)phenyl]urea Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)N5CCCC5

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)N5CCCC5

InChI

InChI=1S/C28H30N4O2S/c1-35-24-11-8-22(9-12-24)29-28(34)30-23-10-13-26(25(18-23)27(33)31-15-4-5-16-31)32-17-14-20-6-2-3-7-21(20)19-32/h2-3,6-13,18H,4-5,14-17,19H2,1H3,(H2,29,30,34)