N-aminocarbonyl-3-[[5-[(3-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-3-[[5-[(3-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Openeye Name: 3-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-carbamoyl-propanamide CAS Name: 3-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]-N-carbamoylpropanamide IUPAC Name: 3-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-carbamoylpropanamide Traditional Name: 3-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]-N-carbamoyl-propionamide Formula: C12H12BrN5O2S2 MolecularWeight: 402.28998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NN=C(S2)SCCC(=O)NC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NN=C(S2)SCCC(=O)NC(=O)N

InChI

InChI=1S/C12H12BrN5O2S2/c13-7-2-1-3-8(6-7)15-11-17-18-12(22-11)21-5-4-9(19)16-10(14)20/h1-3,6H,4-5H2,(H,15,17)(H3,14,16,19,20)