N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-N-(phenylmethyl)benzamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-N-(phenylmethyl)benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-3,4-dimethoxy-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-N-(phenylmethyl)benzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-3,4-dimethoxybenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-3,4-dimethoxy-benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3=NN=C(S3)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3=NN=C(S3)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C28H31N3O3S/c1-33-23-9-8-22(13-24(23)34-2)25(32)31(17-18-6-4-3-5-7-18)27-30-29-26(35-27)28-14-19-10-20(15-28)12-21(11-19)16-28/h3-9,13,19-21H,10-12,14-17H2,1-2H3