4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-2-(1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-2-(1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-2-(1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-2-(1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-[(3,4-dimethoxyphenyl)methylamino]-3-nitro-2-(1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-nitro-2-(1,3,4-thiadiazol-2-yl)-4-(veratrylamino)benzamide Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=C(C=C2)C(=O)N)C3=NN=CS3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=C(C=C2)C(=O)N)C3=NN=CS3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N5O5S/c1-27-13-6-3-10(7-14(13)28-2)8-20-12-5-4-11(17(19)24)15(16(12)23(25)26)18-22-21-9-29-18/h3-7,9,20H,8H2,1-2H3,(H2,19,24)