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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-3-isopropoxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-3-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=C2)OC(C)C

Isomeric SMILES

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

InChI

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