3-(4-bromophenyl)-N-methyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide

Systemtic Name: 3-(4-bromophenyl)-N-methyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Openeye Name: 3-(4-bromophenyl)-N-methyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide CAS Name: 3-(4-bromophenyl)-N-methyl-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]propanamide IUPAC Name: 3-(4-bromophenyl)-N-methyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Traditional Name: 3-(4-bromophenyl)-N-methyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionamide Formula: C13H14BrN5O2S2 MolecularWeight: 416.31656

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=C(C=C1)Br)NC(=O)NC2=NNC(=S)S2

Isomeric SMILES

CNC(=O)C(CC1=CC=C(C=C1)Br)NC(=O)NC2=NNC(=S)S2

InChI

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