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

Systemtic Name: 3-methyl-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide Traditional Name: 3-methyl-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]butyramide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C20H21N3O2S/c1-12(2)10-18(24)23-20(26)21-15-7-5-14(6-8-15)19-22-16-11-13(3)4-9-17(16)25-19/h4-9,11-12H,10H2,1-3H3,(H2,21,23,24,26)