N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C23H28ClN3O3S MolecularWeight: 462.00472

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC(C)C

InChI

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