N-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-benzamide

Systemtic Name: N-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-benzamide Openeye Name: N-[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-benzamide CAS Name: N-[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-nitrobenzamide IUPAC Name: N-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitrobenzamide Traditional Name: N-[2-[[2-keto-2-(m-toluidino)ethyl]thio]-1,3-benzothiazol-6-yl]-4-nitro-benzamide Formula: C23H18N4O4S2 MolecularWeight: 478.54342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4S2/c1-14-3-2-4-16(11-14)24-21(28)13-32-23-26-19-10-7-17(12-20(19)33-23)25-22(29)15-5-8-18(9-6-15)27(30)31/h2-12H,13H2,1H3,(H,24,28)(H,25,29)