N-[[4-chloranyl-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: N-[[4-chloranyl-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C23H18ClN3O2S MolecularWeight: 435.92592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=C(O3)C=C(C=C4)C

InChI

InChI=1S/C23H18ClN3O2S/c1-13-3-6-15(7-4-13)21(28)27-23(30)25-16-8-9-18(24)17(12-16)22-26-19-10-5-14(2)11-20(19)29-22/h3-12H,1-2H3,(H2,25,27,28,30)