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

Systemtic Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C28H28ClN3O3S MolecularWeight: 522.05822

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C(C)CC)Cl

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C(C)CC)Cl

InChI

InChI=1S/C28H28ClN3O3S/c1-4-13-34-21-8-6-7-19(14-21)26(33)32-28(36)31-23-16-20(9-11-22(23)29)27-30-24-15-18(17(3)5-2)10-12-25(24)35-27/h6-12,14-17H,4-5,13H2,1-3H3,(H2,31,32,33,36)