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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2-isopropoxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-isopropoxy-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=C2OC(C)C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CC=C2OC(C)C

InChI

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