4-chloranyl-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide

Systemtic Name: 4-chloranyl-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide Openeye Name: 4-chloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide CAS Name: 4-chloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide Traditional Name: 4-chloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]butyramide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)CCCCl

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)CCCCl

InChI

InChI=1S/C20H20ClN3O2S/c1-12-10-16-17(11-13(12)2)26-19(23-16)14-5-7-15(8-6-14)22-20(27)24-18(25)4-3-9-21/h5-8,10-11H,3-4,9H2,1-2H3,(H2,22,24,25,27)