N-[2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[[2-(4-nitroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[[2-keto-2-(4-nitroanilino)ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C24H20N4O4S2 MolecularWeight: 492.57

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O4S2/c29-22(13-6-16-4-2-1-3-5-16)26-18-9-12-20-21(14-18)34-24(27-20)33-15-23(30)25-17-7-10-19(11-8-17)28(31)32/h1-5,7-12,14H,6,13,15H2,(H,25,30)(H,26,29)