1-[3-(4-bromophenyl)propanoyl-methyl-amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea

Systemtic Name: 1-[3-(4-bromophenyl)propanoyl-methyl-amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Openeye Name: 1-[3-(4-bromophenyl)propanoyl-methyl-amino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea CAS Name: 1-[[3-(4-bromophenyl)-1-oxopropyl]-methylamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea IUPAC Name: 1-[3-(4-bromophenyl)propanoyl-methylamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Traditional Name: 1-[3-(4-bromophenyl)propanoyl-methyl-amino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea Formula: C13H14BrN5O2S2 MolecularWeight: 416.31656

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CCC1=CC=C(C=C1)Br)NC(=O)NC2=NNC(=S)S2

Isomeric SMILES

CN(C(=O)CCC1=CC=C(C=C1)Br)NC(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C13H14BrN5O2S2/c1-19(18-11(21)15-12-16-17-13(22)23-12)10(20)7-4-8-2-5-9(14)6-3-8/h2-3,5-6H,4,7H2,1H3,(H,17,22)(H2,15,16,18,21)