3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide

Systemtic Name: 3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide Openeye Name: 3-(4-chlorophenyl)-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]prop-2-enamide CAS Name: 3-(4-chlorophenyl)-N-[[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide Traditional Name: 3-(4-chlorophenyl)-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acrylamide Formula: C22H15ClN4O2S MolecularWeight: 434.8981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)Cl

InChI

InChI=1S/C22H15ClN4O2S/c23-16-4-1-14(2-5-16)3-8-20(28)27-22(30)25-17-6-7-19-18(13-17)26-21(29-19)15-9-11-24-12-10-15/h1-13H,(H2,25,27,28,30)