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

Systemtic Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H18ClN3O3S/c1-13-4-3-5-17(20(13)29-2)21(28)27-23(31)25-16-10-11-19-18(12-16)26-22(30-19)14-6-8-15(24)9-7-14/h3-12H,1-2H3,(H2,25,27,28,31)