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

Systemtic Name: 3-chloranyl-N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[2-(m-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=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

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