3,4-dimethyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)sulfanylcarbamoyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)sulfanylcarbamoyl]benzamide Openeye Name: 3,4-dimethyl-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]sulfanylcarbamoyl]benzamide CAS Name: 3,4-dimethyl-N-[oxo-[[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)thio]amino]methyl]benzamide IUPAC Name: 3,4-dimethyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)sulfanylcarbamoyl]benzamide Traditional Name: 3,4-dimethyl-N-[[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]thio]carbamoyl]benzamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=O)NSC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=O)NSC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)C

InChI

InChI=1S/C22H18N4O3S/c1-13-3-4-16(11-14(13)2)20(27)25-22(28)26-30-17-5-6-19-18(12-17)24-21(29-19)15-7-9-23-10-8-15/h3-12H,1-2H3,(H2,25,26,27,28)