3-(hexanoylcarbamothioylamino)-N-(phenylmethyl)benzamide

Systemtic Name: 3-(hexanoylcarbamothioylamino)-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-(hexanoylcarbamothioylamino)benzamide CAS Name: 3-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-(hexanoylcarbamothioylamino)benzamide Traditional Name: N-benzyl-3-(caproylthiocarbamoylamino)benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O2S/c1-2-3-5-13-19(25)24-21(27)23-18-12-8-11-17(14-18)20(26)22-15-16-9-6-4-7-10-16/h4,6-12,14H,2-3,5,13,15H2,1H3,(H,22,26)(H2,23,24,25,27)