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

Systemtic Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C29H23N3O2S MolecularWeight: 477.57682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H23N3O2S/c1-18-16-19(2)26-25(17-18)31-28(34-26)23-12-14-24(15-13-23)30-29(35)32-27(33)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-17H,1-2H3,(H2,30,32,33,35)