1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]thiourea CAS Name: 1-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]thiourea Traditional Name: 1-benzyl-3-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]thiourea Formula: C17H18BrN3OS2 MolecularWeight: 424.37832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H18BrN3OS2/c1-12-9-14(18)7-8-15(12)24-11-16(22)20-21-17(23)19-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,20,22)(H2,19,21,23)