1-[octylsulfanyl(phenyl)methyl]-3-phenyl-urea

Systemtic Name: 1-[octylsulfanyl(phenyl)methyl]-3-phenyl-urea Openeye Name: 1-[octylsulfanyl(phenyl)methyl]-3-phenyl-urea CAS Name: 1-[(octylthio)-phenylmethyl]-3-phenylurea IUPAC Name: 1-[octylsulfanyl(phenyl)methyl]-3-phenylurea Traditional Name: 1-[(octylthio)-phenyl-methyl]-3-phenyl-urea Formula: C22H30N2OS MolecularWeight: 370.5514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(C1=CC=CC=C1)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCSC(C1=CC=CC=C1)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H30N2OS/c1-2-3-4-5-6-13-18-26-21(19-14-9-7-10-15-19)24-22(25)23-20-16-11-8-12-17-20/h7-12,14-17,21H,2-6,13,18H2,1H3,(H2,23,24,25)