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

Systemtic Name: N-[[4-chloranyl-3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide CAS Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]propionamide Formula: C17H13Cl2N3O2S MolecularWeight: 394.27502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C17H13Cl2N3O2S/c1-2-15(23)22-17(25)20-10-4-5-12(19)11(8-10)16-21-13-7-9(18)3-6-14(13)24-16/h3-8H,2H2,1H3,(H2,20,22,23,25)