N-[4-[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-1-methyl-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C25H22N4O5S2 MolecularWeight: 522.59598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O5S2/c1-3-34-19-9-12-21-22(14-19)36-25(27-21)28-23(30)15(2)35-20-10-7-17(8-11-20)26-24(31)16-5-4-6-18(13-16)29(32)33/h4-15H,3H2,1-2H3,(H,26,31)(H,27,28,30)