N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[2-methyl-5-(6-methyl-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=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

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