N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[4-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O2S/c1-18(2)20-9-11-21(12-10-20)25(31)29-26(32)28-23-15-13-22(14-16-23)27-24(30)17-8-19-6-4-3-5-7-19/h3-7,9-16,18H,8,17H2,1-2H3,(H,27,30)(H2,28,29,31,32)