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

Systemtic Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C29H23N3O3S MolecularWeight: 493.57622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)OC)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)OC)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H23N3O3S/c1-18-8-9-22(28-30-25-17-23(34-2)14-15-26(25)35-28)16-24(18)31-29(36)32-27(33)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-17H,1-2H3,(H2,31,32,33,36)