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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C25H32ClN3O3S MolecularWeight: 490.05788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)CCC)Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)CCC)Cl

InChI

InChI=1S/C25H32ClN3O3S/c1-3-5-6-7-8-16-32-20-13-10-18(11-14-20)24(31)29-25(33)28-22-17-19(12-15-21(22)26)27-23(30)9-4-2/h10-15,17H,3-9,16H2,1-2H3,(H,27,30)(H2,28,29,31,33)