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

Systemtic Name: N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-methyl-benzamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)OC

InChI

InChI=1S/C23H19N3O3S/c1-14-4-3-5-16(12-14)21(27)26-23(30)24-17-8-6-15(7-9-17)22-25-19-13-18(28-2)10-11-20(19)29-22/h3-13H,1-2H3,(H2,24,26,27,30)