N-(phenylmethyl)-3-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(phenylmethyl)-3-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-benzyl-3-[(4-isopropylbenzoyl)carbamothioylamino]benzamide CAS Name: 3-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzamide Traditional Name: N-benzyl-3-(cumoylthiocarbamoylamino)benzamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O2S/c1-17(2)19-11-13-20(14-12-19)24(30)28-25(31)27-22-10-6-9-21(15-22)23(29)26-16-18-7-4-3-5-8-18/h3-15,17H,16H2,1-2H3,(H,26,29)(H2,27,28,30,31)