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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2N3O2S/c19-8-2-5-16(24)23-18(26)21-13-6-7-15-14(10-13)22-17(25-15)11-3-1-4-12(20)9-11/h1,3-4,6-7,9-10H,2,5,8H2,(H2,21,23,24,26)