2-(pentanoylcarbamothioylamino)-N-phenethyl-benzamide

Systemtic Name: 2-(pentanoylcarbamothioylamino)-N-phenethyl-benzamide Openeye Name: 2-(pentanoylcarbamothioylamino)-N-phenethyl-benzamide CAS Name: 2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-(pentanoylcarbamothioylamino)-N-phenethylbenzamide Traditional Name: N-phenethyl-2-(valerylthiocarbamoylamino)benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

InChI

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