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

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-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=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)Cl

Isomeric SMILES

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

InChI

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