N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

Systemtic Name: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide Openeye Name: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide CAS Name: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide IUPAC Name: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide Traditional Name: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide Formula: C21H19N5OS MolecularWeight: 389.47346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CNCC2=C1C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C21H19N5OS/c27-20(14-5-6-15-11-22-8-7-13(15)9-14)24-21-26-25-19(28-21)10-16-12-23-18-4-2-1-3-17(16)18/h1-6,9,12,22-23H,7-8,10-11H2,(H,24,26,27)