N-(1-phenylethyl)-3-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(1-phenylethyl)-3-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 3-[(4-isopropylbenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide CAS Name: 3-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: N-(1-phenylethyl)-3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzamide Traditional Name: 3-(cumoylthiocarbamoylamino)-N-(1-phenylethyl)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=CC(=C2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2S/c1-17(2)19-12-14-21(15-13-19)24(30)29-26(32)28-23-11-7-10-22(16-23)25(31)27-18(3)20-8-5-4-6-9-20/h4-18H,1-3H3,(H,27,31)(H2,28,29,30,32)