(4R)-2-benzamido-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

Systemtic Name: (4R)-2-benzamido-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide Openeye Name: (4R)-2-benzamido-N-(3-pyridylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide CAS Name: (4R)-2-benzamido-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide IUPAC Name: (4R)-2-benzamido-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide Traditional Name: (4R)-2-benzamido-N-(3-pyridylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)SC(=N2)NC(=O)C3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1C[C@H](C2=C(C1)SC(=N2)NC(=O)C3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H20N4O2S/c26-19(15-7-2-1-3-8-15)25-21-24-18-16(9-4-10-17(18)28-21)20(27)23-13-14-6-5-11-22-12-14/h1-3,5-8,11-12,16H,4,9-10,13H2,(H,23,27)(H,24,25,26)/t16-/m1/s1