N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-4-5-19(26)23-16-10-11-17(22)18(12-16)24-21(28)25-20(27)15-8-6-14(7-9-15)13(2)3/h6-13H,4-5H2,1-3H3,(H,23,26)(H2,24,25,27,28)