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

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)CC(C)C)C2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)CC(C)C)C2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-11(2)9-18(25)24-20(27)23-15-6-4-5-14(12(15)3)19-22-16-10-13(21)7-8-17(16)26-19/h4-8,10-11H,9H2,1-3H3,(H2,23,24,25,27)