2-bromanyl-N-[2-[1-[(4-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-bromanyl-N-[2-[1-[(4-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-bromo-N-[2-[1-[(4-chlorophenyl)carbamoyl]propylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-bromo-N-[2-[[1-(4-chloroanilino)-1-oxobutan-2-yl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-bromo-N-[2-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-bromo-N-[2-[1-[(4-chlorophenyl)carbamoyl]propylthio]-1,3-benzothiazol-6-yl]benzamide Formula: C24H19BrClN3O2S2 MolecularWeight: 560.91356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C24H19BrClN3O2S2/c1-2-20(23(31)27-15-9-7-14(26)8-10-15)32-24-29-19-12-11-16(13-21(19)33-24)28-22(30)17-5-3-4-6-18(17)25/h3-13,20H,2H2,1H3,(H,27,31)(H,28,30)