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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-3-propoxy-benzamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3S/c1-3-6-19(26)23-15-9-10-17(22)18(13-15)24-21(29)25-20(27)14-7-5-8-16(12-14)28-11-4-2/h5,7-10,12-13H,3-4,6,11H2,1-2H3,(H,23,26)(H2,24,25,27,29)