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

Systemtic Name: N-[2-[1-[(4-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-4-methyl-benzamide Openeye Name: N-[2-[1-[(4-chlorophenyl)carbamoyl]propylsulfanyl]-1,3-benzothiazol-6-yl]-4-methyl-benzamide CAS Name: N-[2-[[1-(4-chloroanilino)-1-oxobutan-2-yl]thio]-1,3-benzothiazol-6-yl]-4-methylbenzamide IUPAC Name: N-[2-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-4-methylbenzamide Traditional Name: N-[2-[1-[(4-chlorophenyl)carbamoyl]propylthio]-1,3-benzothiazol-6-yl]-4-methyl-benzamide Formula: C25H22ClN3O2S2 MolecularWeight: 496.04408

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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=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O2S2/c1-3-21(24(31)27-18-10-8-17(26)9-11-18)32-25-29-20-13-12-19(14-22(20)33-25)28-23(30)16-6-4-15(2)5-7-16/h4-14,21H,3H2,1-2H3,(H,27,31)(H,28,30)