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

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-1-ylcarbonyl-phenyl]-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]-3-(4-methylsulfanylphenyl)urea CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-piperidinyl)methyl]phenyl]-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]-3-[4-(methylthio)phenyl]urea Formula: C29H32N4O2S MolecularWeight: 500.65498

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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)N5CCCCC5

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)N5CCCCC5

InChI

InChI=1S/C29H32N4O2S/c1-36-25-12-9-23(10-13-25)30-29(35)31-24-11-14-27(26(19-24)28(34)32-16-5-2-6-17-32)33-18-15-21-7-3-4-8-22(21)20-33/h3-4,7-14,19H,2,5-6,15-18,20H2,1H3,(H2,30,31,35)