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

Systemtic Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-4-chloranyl-benzamide Openeye Name: 4-chloro-N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-4-chlorobenzamide IUPAC Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-chlorobenzamide Traditional Name: 4-chloro-N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C25H21Cl2N3O2S MolecularWeight: 498.42414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21Cl2N3O2S/c1-3-14(2)16-7-11-22-21(12-16)28-24(32-22)17-6-10-19(27)20(13-17)29-25(33)30-23(31)15-4-8-18(26)9-5-15/h4-14H,3H2,1-2H3,(H2,29,30,31,33)