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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3,5-diethoxy-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-3,5-diethoxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3,5-diethoxybenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-3,5-diethoxybenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-3,5-diethoxy-benzamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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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)OCC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O4S/c1-4-7-20(27)24-15-8-9-18(23)19(12-15)25-22(31)26-21(28)14-10-16(29-5-2)13-17(11-14)30-6-3/h8-13H,4-7H2,1-3H3,(H,24,27)(H2,25,26,28,31)