3-(2-phenylethanoylcarbamothioylamino)-N,N-dipropyl-benzamide

Systemtic Name: 3-(2-phenylethanoylcarbamothioylamino)-N,N-dipropyl-benzamide Openeye Name: 3-[(2-phenylacetyl)carbamothioylamino]-N,N-dipropyl-benzamide CAS Name: 3-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]-N,N-dipropylbenzamide IUPAC Name: 3-[(2-phenylacetyl)carbamothioylamino]-N,N-dipropylbenzamide Traditional Name: 3-[(2-phenylacetyl)thiocarbamoylamino]-N,N-dipropyl-benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=CC=C2

InChI

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