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

Systemtic Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]nicotinamide Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O2S/c1-3-15(2)17-8-11-21-20(13-17)27-23(30-21)16-6-9-19(10-7-16)26-24(31)28-22(29)18-5-4-12-25-14-18/h4-15H,3H2,1-2H3,(H2,26,28,29,31)