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

Systemtic Name: 4-chloranyl-N-[[2-(3-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Openeye Name: 4-chloro-N-[[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide CAS Name: 4-chloro-N-[[[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Traditional Name: 4-chloro-N-[[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]butyramide Formula: C19H17Cl2N3O2S MolecularWeight: 422.32818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CCCCl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CCCCl)Cl

InChI

InChI=1S/C19H17Cl2N3O2S/c1-11-4-5-12(9-14(11)21)18-23-15-10-13(6-7-16(15)26-18)22-19(27)24-17(25)3-2-8-20/h4-7,9-10H,2-3,8H2,1H3,(H2,22,24,25,27)