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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

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