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

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-propan-2-yl-benzamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-isopropyl-benzamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-propan-2-ylbenzamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23N3O3S/c1-13(2)15-6-8-16(9-7-15)20(25)22-21-24-23-19(28-21)12-14-5-10-17(26-3)18(11-14)27-4/h5-11,13H,12H2,1-4H3,(H,22,24,25)