3-methyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]butanamide Traditional Name: 3-methyl-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]butyramide Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=NC=C3

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C18H18N4O2S/c1-11(2)9-16(23)22-18(25)20-13-3-4-15-14(10-13)21-17(24-15)12-5-7-19-8-6-12/h3-8,10-11H,9H2,1-2H3,(H2,20,22,23,25)