1-[[4-(4-hydroxyphenyl)sulfanylphenyl]-octadecanoyl-amino]urea

Systemtic Name: 1-[[4-(4-hydroxyphenyl)sulfanylphenyl]-octadecanoyl-amino]urea Openeye Name: [4-(4-hydroxyphenyl)sulfanyl-N-octadecanoyl-anilino]urea CAS Name: [4-[(4-hydroxyphenyl)thio]-N-(1-oxooctadecyl)anilino]urea IUPAC Name: [4-(4-hydroxyphenyl)sulfanyl-N-octadecanoylanilino]urea Traditional Name: [4-[(4-hydroxyphenyl)thio]-N-stearoyl-anilino]urea Formula: C31H47N3O3S MolecularWeight: 541.78818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N(C1=CC=C(C=C1)SC2=CC=C(C=C2)O)NC(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N(C1=CC=C(C=C1)SC2=CC=C(C=C2)O)NC(=O)N

InChI

InChI=1S/C31H47N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(36)34(33-31(32)37)26-18-22-28(23-19-26)38-29-24-20-27(35)21-25-29/h18-25,35H,2-17H2,1H3,(H3,32,33,37)