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

Systemtic Name: N-phenethyl-2-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 2-[(4-isopropylbenzoyl)carbamothioylamino]-N-phenethyl-benzamide CAS Name: 2-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: N-phenethyl-2-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzamide Traditional Name: 2-(cumoylthiocarbamoylamino)-N-phenethyl-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=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

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