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4-(hexanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide

4-(hexanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide

Systemtic Name:4-(hexanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide
Openeye Name:4-(hexanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide
CAS Name:4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide
IUPAC Name:4-(hexanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide
Traditional Name:4-(caproylthiocarbamoylamino)-N-(1-phenylethyl)benzamide
Formula: C22H27N3O2S
MolecularWeight: 397.53368
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H27N3O2S/c1-3-4-6-11-20(26)25-22(28)24-19-14-12-18(13-15-19)21(27)23-16(2)17-9-7-5-8-10-17/h5,7-10,12-16H,3-4,6,11H2,1-2H3,(H,23,27)(H2,24,25,26,28)


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