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

Systemtic Name: N-[[4-chloranyl-3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide Openeye Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide CAS Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide Traditional Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]butyramide Formula: C18H15Cl2N3O2S MolecularWeight: 408.3016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2N3O2S/c1-2-3-16(24)23-18(26)21-11-5-6-13(20)12(9-11)17-22-14-8-10(19)4-7-15(14)25-17/h4-9H,2-3H2,1H3,(H2,21,23,24,26)