3-chloranyl-N-[4-(hexanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 3-chloranyl-N-[4-(hexanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 3-chloro-N-[4-(hexanoylcarbamothioylamino)phenyl]benzamide CAS Name: 3-chloro-N-[4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 3-chloro-N-[4-(hexanoylcarbamothioylamino)phenyl]benzamide Traditional Name: N-[4-(caproylthiocarbamoylamino)phenyl]-3-chloro-benzamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S/c1-2-3-4-8-18(25)24-20(27)23-17-11-9-16(10-12-17)22-19(26)14-6-5-7-15(21)13-14/h5-7,9-13H,2-4,8H2,1H3,(H,22,26)(H2,23,24,25,27)