2-chloranyl-N-[2-methoxy-4-(pentanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 2-chloranyl-N-[2-methoxy-4-(pentanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 2-chloro-N-[2-methoxy-4-(pentanoylcarbamothioylamino)phenyl]benzamide CAS Name: 2-chloro-N-[2-methoxy-4-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-chloro-N-[2-methoxy-4-(pentanoylcarbamothioylamino)phenyl]benzamide Traditional Name: 2-chloro-N-[2-methoxy-4-(valerylthiocarbamoylamino)phenyl]benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2Cl)OC

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2Cl)OC

InChI

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