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

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]butanamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]butanamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide Traditional Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]butyramide Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC=CC(=C1C)C2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC=CC(=C1C)C2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C19H18ClN3O2S/c1-3-5-17(24)23-19(26)22-14-7-4-6-13(11(14)2)18-21-15-10-12(20)8-9-16(15)25-18/h4,6-10H,3,5H2,1-2H3,(H2,22,23,24,26)