N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]nicotinamide Formula: C23H20N4O2S MolecularWeight: 416.4955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H20N4O2S/c1-14(2)16-7-10-20-19(12-16)26-22(29-20)15-5-8-18(9-6-15)25-23(30)27-21(28)17-4-3-11-24-13-17/h3-14H,1-2H3,(H2,25,27,28,30)