1-[2-(4-bromophenyl)sulfanylethyl]-3-(pyridin-3-ylcarbonylamino)urea

Systemtic Name: 1-[2-(4-bromophenyl)sulfanylethyl]-3-(pyridin-3-ylcarbonylamino)urea Openeye Name: 1-[2-(4-bromophenyl)sulfanylethyl]-3-(pyridine-3-carbonylamino)urea CAS Name: 1-[2-[(4-bromophenyl)thio]ethyl]-3-[[oxo(3-pyridinyl)methyl]amino]urea IUPAC Name: 1-[2-(4-bromophenyl)sulfanylethyl]-3-(pyridine-3-carbonylamino)urea Traditional Name: 1-[2-[(4-bromophenyl)thio]ethyl]-3-nicotinamido-urea Formula: C15H15BrN4O2S MolecularWeight: 395.2742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NNC(=O)NCCSC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NNC(=O)NCCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H15BrN4O2S/c16-12-3-5-13(6-4-12)23-9-8-18-15(22)20-19-14(21)11-2-1-7-17-10-11/h1-7,10H,8-9H2,(H,19,21)(H2,18,20,22)