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

Systemtic Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[2-(4-chlorobenzyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C24H20ClN3O2S/c1-14-3-6-17(11-15(14)2)23(29)28-24(31)26-19-9-10-21-20(13-19)27-22(30-21)12-16-4-7-18(25)8-5-16/h3-11,13H,12H2,1-2H3,(H2,26,28,29,31)