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

Systemtic Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]pentanamide Openeye Name: N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]pentanamide Traditional Name: N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]valeramide Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC(=C3)C(C)CC)Cl

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC(=C3)C(C)CC)Cl

InChI

InChI=1S/C23H26ClN3O2S/c1-4-6-7-21(28)27-23(30)26-18-13-16(8-10-17(18)24)22-25-19-12-15(14(3)5-2)9-11-20(19)29-22/h8-14H,4-7H2,1-3H3,(H2,26,27,28,30)