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

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C27H18ClN3O2S MolecularWeight: 483.96872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)C4=NC5=CC=CC=C5O4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)C4=NC5=CC=CC=C5O4)Cl

InChI

InChI=1S/C27H18ClN3O2S/c28-21-15-14-20(26-29-22-8-4-5-9-24(22)33-26)16-23(21)30-27(34)31-25(32)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16H,(H2,30,31,32,34)