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

Systemtic Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide Openeye Name: N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide CAS Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide Traditional Name: N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]butyramide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-4-6-20(26)25-22(28)23-17-10-7-15(8-11-17)21-24-18-13-16(14(3)5-2)9-12-19(18)27-21/h7-14H,4-6H2,1-3H3,(H2,23,25,26,28)