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

Systemtic Name: 2-[[5-[(3-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-butanamide Openeye Name: 2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-butanamide CAS Name: 2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]-N-phenylbutanamide IUPAC Name: 2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylbutanamide Traditional Name: 2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]-N-phenyl-butyramide Formula: C18H17BrN4OS2 MolecularWeight: 449.38778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(S2)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(S2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H17BrN4OS2/c1-2-15(16(24)20-13-8-4-3-5-9-13)25-18-23-22-17(26-18)21-14-10-6-7-12(19)11-14/h3-11,15H,2H2,1H3,(H,20,24)(H,21,22)