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

Systemtic Name: 3-chloranyl-4-methyl-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[2-(4-isopropylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-chloro-4-methyl-N-[[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-methyl-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-methyl-N-[(2-p-cumenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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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)C4=CC=C(C=C4)C(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O2S/c1-14(2)16-6-8-17(9-7-16)24-28-21-13-19(10-11-22(21)31-24)27-25(32)29-23(30)18-5-4-15(3)20(26)12-18/h4-14H,1-3H3,(H2,27,29,30,32)