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

Systemtic Name: 4-propan-2-yl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-isopropyl-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-propan-2-yl-N-[[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-propan-2-yl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-isopropyl-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O2S/c1-14(2)15-3-5-16(6-4-15)21(28)27-23(30)25-18-7-8-20-19(13-18)26-22(29-20)17-9-11-24-12-10-17/h3-14H,1-2H3,(H2,25,27,28,30)