N-ethyl-N-naphthalen-1-yl-4-(3-phenylpropanoylcarbamothioylamino)benzamide

Systemtic Name: N-ethyl-N-naphthalen-1-yl-4-(3-phenylpropanoylcarbamothioylamino)benzamide Openeye Name: N-ethyl-N-(1-naphthyl)-4-(3-phenylpropanoylcarbamothioylamino)benzamide CAS Name: N-ethyl-N-(1-naphthalenyl)-4-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-ethyl-N-naphthalen-1-yl-4-(3-phenylpropanoylcarbamothioylamino)benzamide Traditional Name: N-ethyl-4-(hydrocinnamoylthiocarbamoylamino)-N-(1-naphthyl)benzamide Formula: C29H27N3O2S MolecularWeight: 481.60858

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC(=S)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC(=S)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H27N3O2S/c1-2-32(26-14-8-12-22-11-6-7-13-25(22)26)28(34)23-16-18-24(19-17-23)30-29(35)31-27(33)20-15-21-9-4-3-5-10-21/h3-14,16-19H,2,15,20H2,1H3,(H2,30,31,33,35)