N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]benzamide Formula: C23H28ClN3O3S MolecularWeight: 462.00472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)CCC)Cl

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)CCC)Cl

InChI

InChI=1S/C23H28ClN3O3S/c1-3-5-8-14-30-20-11-7-6-10-17(20)22(29)27-23(31)26-19-15-16(12-13-18(19)24)25-21(28)9-4-2/h6-7,10-13,15H,3-5,8-9,14H2,1-2H3,(H,25,28)(H2,26,27,29,31)