2-[[5-[(3-bromophenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-methyl-amino]-N-tert-butyl-ethanamide

Systemtic Name: 2-[[5-[(3-bromophenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-methyl-amino]-N-tert-butyl-ethanamide Openeye Name: 2-[[5-(3-bromoanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-methyl-amino]-N-tert-butyl-acetamide CAS Name: 2-[[5-(3-bromoanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-methylamino]-N-tert-butylacetamide IUPAC Name: 2-[[5-(3-bromoanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-methylamino]-N-tert-butylacetamide Traditional Name: 2-[[5-(3-bromoanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-methyl-amino]-N-tert-butyl-acetamide Formula: C16H22BrN5OS2 MolecularWeight: 444.41278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)CN1C(=S)SC(=N1)NC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)CN1C(=S)SC(=N1)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H22BrN5OS2/c1-16(2,3)19-13(23)9-21(4)10-22-15(24)25-14(20-22)18-12-7-5-6-11(17)8-12/h5-8H,9-10H2,1-4H3,(H,18,20)(H,19,23)