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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methylamino]-4-iodanyl-2-(1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-[(3,4-dimethoxyphenyl)methylamino]-4-iodo-2-(1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-[(3,4-dimethoxyphenyl)methylamino]-4-iodo-2-(1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3-[(3,4-dimethoxyphenyl)methylamino]-4-iodo-2-(1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-iodo-2-(1,3,4-thiadiazol-2-yl)-3-(veratrylamino)benzamide Formula: C18H17IN4O3S MolecularWeight: 496.32205

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=CC(=C2C3=NN=CS3)C(=O)N)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=CC(=C2C3=NN=CS3)C(=O)N)I)OC

InChI

InChI=1S/C18H17IN4O3S/c1-25-13-6-3-10(7-14(13)26-2)8-21-16-12(19)5-4-11(17(20)24)15(16)18-23-22-9-27-18/h3-7,9,21H,8H2,1-2H3,(H2,20,24)