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

Systemtic Name: N-[[4-chloranyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-ethyl-benzamide Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=CC(=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=CC(=C4)C

InChI

InChI=1S/C24H20ClN3O2S/c1-3-15-5-7-16(8-6-15)22(29)28-24(31)26-17-9-10-19(25)18(13-17)23-27-20-12-14(2)4-11-21(20)30-23/h4-13H,3H2,1-2H3,(H2,26,28,29,31)