1-(2-azanyl-5-phenylsulfanyl-phenyl)-3-butyl-urea

Systemtic Name: 1-(2-azanyl-5-phenylsulfanyl-phenyl)-3-butyl-urea Openeye Name: 1-(2-amino-5-phenylsulfanyl-phenyl)-3-butyl-urea CAS Name: 1-[2-amino-5-(phenylthio)phenyl]-3-butylurea IUPAC Name: 1-(2-amino-5-phenylsulfanylphenyl)-3-butylurea Traditional Name: 1-[2-amino-5-(phenylthio)phenyl]-3-butyl-urea Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N

Isomeric SMILES

CCCCNC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N

InChI

InChI=1S/C17H21N3OS/c1-2-3-11-19-17(21)20-16-12-14(9-10-15(16)18)22-13-7-5-4-6-8-13/h4-10,12H,2-3,11,18H2,1H3,(H2,19,20,21)