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

Systemtic Name: N-[2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[2-(2-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[[2-(2-nitroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[2-(2-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[[2-keto-2-(2-nitroanilino)ethyl]thio]-1,3-benzothiazol-6-yl]propionamide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S2/c1-2-16(23)19-11-7-8-13-15(9-11)28-18(21-13)27-10-17(24)20-12-5-3-4-6-14(12)22(25)26/h3-9H,2,10H2,1H3,(H,19,23)(H,20,24)