N-[[4-chloranyl-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[4-chloranyl-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)CC(C)C)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)CC(C)C)Cl

InChI

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