N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N3O5S2/c1-25-12-3-5-13(6-4-12)27-8-7-16(22)19-18-20-17-14(26-2)9-11(21(23)24)10-15(17)28-18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,22)