N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC(=CC(=C4O3)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC(=CC(=C4O3)C)C)C

InChI

InChI=1S/C25H23N3O2S/c1-14-11-17(4)22-21(12-14)27-24(30-22)18-7-9-20(10-8-18)26-25(31)28-23(29)19-6-5-15(2)16(3)13-19/h5-13H,1-4H3,(H2,26,28,29,31)