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

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-4-butoxy-benzamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]carbamothioyl]-4-butoxy-benzamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-butoxybenzamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]thiocarbamoyl]-4-butoxy-benzamide Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C25H22ClN3O3S/c1-2-3-14-31-18-11-8-16(9-12-18)23(30)29-25(33)28-21-15-17(10-13-19(21)26)24-27-20-6-4-5-7-22(20)32-24/h4-13,15H,2-3,14H2,1H3,(H2,28,29,30,33)