N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-2-(4-chlorophenyl)ethanamide

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-2-(4-chlorophenyl)ethanamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-2-(4-chlorophenyl)acetamide CAS Name: N-[[[4-(1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-2-(4-chlorophenyl)acetamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-2-(4-chlorophenyl)acetamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]-2-(4-chlorophenyl)acetamide Formula: C23H18ClN3O2S MolecularWeight: 435.92592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)CNC(=S)NC(=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)CNC(=S)NC(=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H18ClN3O2S/c24-18-11-7-15(8-12-18)13-21(28)27-23(30)25-14-16-5-9-17(10-6-16)22-26-19-3-1-2-4-20(19)29-22/h1-12H,13-14H2,(H2,25,27,28,30)