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2-(pentanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide

2-(pentanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide

Systemtic Name:2-(pentanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide
Openeye Name:2-(pentanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide
CAS Name:2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide
IUPAC Name:2-(pentanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide
Traditional Name:N-(1-phenylethyl)-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)NC(C)C2=CC=CC=C2


Isomeric SMILES

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


InChI

InChI=1S/C21H25N3O2S/c1-3-4-14-19(25)24-21(27)23-18-13-9-8-12-17(18)20(26)22-15(2)16-10-6-5-7-11-16/h5-13,15H,3-4,14H2,1-2H3,(H,22,26)(H2,23,24,25,27)


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