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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acetamide Formula: C21H15ClN4O2S2 MolecularWeight: 454.9524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)Cl

InChI

InChI=1S/C21H15ClN4O2S2/c22-14-1-4-16(5-2-14)30-12-19(27)26-21(29)24-15-3-6-18-17(11-15)25-20(28-18)13-7-9-23-10-8-13/h1-11H,12H2,(H2,24,26,27,29)