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

Systemtic Name: 4-chloranyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-chloro-N-[[2-(p-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-chloro-N-[[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-chloro-N-[[2-(p-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3O2S/c1-13-2-4-15(5-3-13)21-25-18-12-17(10-11-19(18)28-21)24-22(29)26-20(27)14-6-8-16(23)9-7-14/h2-12H,1H3,(H2,24,26,27,29)