3-(3,4-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N3O5S/c1-25-14-7-3-11(9-15(14)26-2)4-8-17(22)20-18-19-13-6-5-12(21(23)24)10-16(13)27-18/h3,5-7,9-10H,4,8H2,1-2H3,(H,19,20,22)