N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-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=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)CCC)Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)CCC)Cl

InChI

InChI=1S/C23H28ClN3O3S/c1-3-5-6-14-30-18-11-8-16(9-12-18)22(29)27-23(31)26-20-15-17(10-13-19(20)24)25-21(28)7-4-2/h8-13,15H,3-7,14H2,1-2H3,(H,25,28)(H2,26,27,29,31)