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

Systemtic Name: 3-chloranyl-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]benzamide CAS Name: 3-chloro-N-[[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[(2-p-cumenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Cl

InChI

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