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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

InChI

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