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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/c1-4-6-17(25)22-13-9-10-15(21)16(11-13)23-20(28)24-19(26)14-8-5-7-12(2)18(14)27-3/h5,7-11H,4,6H2,1-3H3,(H,22,25)(H2,23,24,26,28)