N-[5-[(3,4-dimethoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]-4-iodanyl-benzamide

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]-4-iodanyl-benzamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]-4-iodo-benzamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]-4-iodobenzamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]-4-iodobenzamide Traditional Name: 4-iodo-N-[5-(veratrylamino)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H17IN4O3S MolecularWeight: 496.32205

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)I)OC

InChI

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