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

Systemtic Name: 3,4-dimethoxy-N-[2-[1-[(3-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3,4-dimethoxy-N-[2-[1-[(3-nitrophenyl)carbamoyl]propylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 3,4-dimethoxy-N-[2-[[1-(3-nitroanilino)-1-oxobutan-2-yl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3,4-dimethoxy-N-[2-[1-(3-nitroanilino)-1-oxobutan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3,4-dimethoxy-N-[2-[1-[(3-nitrophenyl)carbamoyl]propylthio]-1,3-benzothiazol-6-yl]benzamide Formula: C26H24N4O6S2 MolecularWeight: 552.62196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H24N4O6S2/c1-4-22(25(32)28-16-6-5-7-18(13-16)30(33)34)37-26-29-19-10-9-17(14-23(19)38-26)27-24(31)15-8-11-20(35-2)21(12-15)36-3/h5-14,22H,4H2,1-3H3,(H,27,31)(H,28,32)