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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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