2-[methyl(pentanoylcarbamothioyl)amino]-N-phenethyl-benzamide

Systemtic Name: 2-[methyl(pentanoylcarbamothioyl)amino]-N-phenethyl-benzamide Openeye Name: 2-[methyl(pentanoylcarbamothioyl)amino]-N-phenethyl-benzamide CAS Name: 2-[methyl-[(1-oxopentylamino)-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[methyl(pentanoylcarbamothioyl)amino]-N-phenethylbenzamide Traditional Name: 2-[methyl(valerylthiocarbamoyl)amino]-N-phenethyl-benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)N(C)C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)NC(=S)N(C)C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

InChI

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