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

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[4-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C23H19N3O2S MolecularWeight: 401.48086

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O2S/c1-14-7-8-17(13-15(14)2)21(27)26-23(29)24-18-11-9-16(10-12-18)22-25-19-5-3-4-6-20(19)28-22/h3-13H,1-2H3,(H2,24,26,27,29)