1-[bis(4-chlorophenyl)methyl]-3-[2-(7-pyridin-2-ylsulfanylnaphthalen-1-yl)ethyl]urea

Systemtic Name: 1-[bis(4-chlorophenyl)methyl]-3-[2-(7-pyridin-2-ylsulfanylnaphthalen-1-yl)ethyl]urea Openeye Name: 1-[bis(4-chlorophenyl)methyl]-3-[2-[7-(2-pyridylsulfanyl)-1-naphthyl]ethyl]urea CAS Name: 1-[bis(4-chlorophenyl)methyl]-3-[2-[7-(2-pyridinylthio)-1-naphthalenyl]ethyl]urea IUPAC Name: 1-[bis(4-chlorophenyl)methyl]-3-[2-(7-pyridin-2-ylsulfanylnaphthalen-1-yl)ethyl]urea Traditional Name: 1-[bis(4-chlorophenyl)methyl]-3-[2-[7-(2-pyridylthio)-1-naphthyl]ethyl]urea Formula: C31H25Cl2N3OS MolecularWeight: 558.5207

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC2=CC3=C(C=CC=C3CCNC(=O)NC(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C=C2

Isomeric SMILES

C1=CC=NC(=C1)SC2=CC3=C(C=CC=C3CCNC(=O)NC(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C=C2

InChI

InChI=1S/C31H25Cl2N3OS/c32-25-12-7-23(8-13-25)30(24-9-14-26(33)15-10-24)36-31(37)35-19-17-22-5-3-4-21-11-16-27(20-28(21)22)38-29-6-1-2-18-34-29/h1-16,18,20,30H,17,19H2,(H2,35,36,37)