N-(5-phenethyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

Systemtic Name: N-(5-phenethyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide Openeye Name: N-(5-phenethylthiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide CAS Name: N-(5-phenethyl-2-thiazolyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide IUPAC Name: N-(5-phenethyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide Traditional Name: N-(5-phenethylthiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide Formula: C21H21N3OS MolecularWeight: 363.47594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=C(C=C2)C(=O)NC3=NC=C(S3)CCC4=CC=CC=C4

Isomeric SMILES

C1CNCC2=C1C=C(C=C2)C(=O)NC3=NC=C(S3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c25-20(17-7-8-18-13-22-11-10-16(18)12-17)24-21-23-14-19(26-21)9-6-15-4-2-1-3-5-15/h1-5,7-8,12,14,22H,6,9-11,13H2,(H,23,24,25)