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

Systemtic Name: 3,5-dimethyl-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 3,5-dimethyl-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3,5-dimethyl-N-[[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 3,5-dimethyl-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4)C

InChI

InChI=1S/C22H18N4O2S/c1-13-8-14(2)10-16(9-13)20(27)26-22(29)24-17-5-6-19-18(11-17)25-21(28-19)15-4-3-7-23-12-15/h3-12H,1-2H3,(H2,24,26,27,29)