1-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]-3-(o-tolyl)thiourea CAS Name: 1-[[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]-3-(o-tolyl)thiourea Formula: C18H16BrN3O2S MolecularWeight: 418.30754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

InChI

InChI=1S/C18H16BrN3O2S/c1-10-5-3-4-6-14(10)20-18(25)22-21-17(23)16-11(2)13-9-12(19)7-8-15(13)24-16/h3-9H,1-2H3,(H,21,23)(H2,20,22,25)