N-ethyl-4-(hexanoylcarbamothioylamino)-N-phenyl-benzamide

Systemtic Name: N-ethyl-4-(hexanoylcarbamothioylamino)-N-phenyl-benzamide Openeye Name: N-ethyl-4-(hexanoylcarbamothioylamino)-N-phenyl-benzamide CAS Name: N-ethyl-4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: N-ethyl-4-(hexanoylcarbamothioylamino)-N-phenylbenzamide Traditional Name: 4-(caproylthiocarbamoylamino)-N-ethyl-N-phenyl-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)N(CC)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-3-5-7-12-20(26)24-22(28)23-18-15-13-17(14-16-18)21(27)25(4-2)19-10-8-6-9-11-19/h6,8-11,13-16H,3-5,7,12H2,1-2H3,(H2,23,24,26,28)