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

Systemtic Name: N-[[4-chloranyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C26H24ClN3O2S MolecularWeight: 478.00566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClN3O2S/c1-14(2)17-5-8-23-22(12-17)29-25(32-23)20-13-19(6-7-21(20)27)28-26(33)30-24(31)18-10-15(3)9-16(4)11-18/h5-14H,1-4H3,(H2,28,30,31,33)