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

Systemtic Name: N-[[4-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C23H18ClN3O4S MolecularWeight: 467.92472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl)OC

InChI

InChI=1S/C23H18ClN3O4S/c1-29-19-9-5-14(11-20(19)30-2)21(28)27-23(32)25-16-7-3-13(4-8-16)22-26-17-12-15(24)6-10-18(17)31-22/h3-12H,1-2H3,(H2,25,27,28,32)