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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)OC)Cl

InChI

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