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

Systemtic Name: N-ethyl-N-phenyl-3-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-ethyl-3-[(4-isopropylbenzoyl)carbamothioylamino]-N-phenyl-benzamide CAS Name: N-ethyl-3-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: N-ethyl-N-phenyl-3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzamide Traditional Name: 3-(cumoylthiocarbamoylamino)-N-ethyl-N-phenyl-benzamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2S/c1-4-29(23-11-6-5-7-12-23)25(31)21-9-8-10-22(17-21)27-26(32)28-24(30)20-15-13-19(14-16-20)18(2)3/h5-18H,4H2,1-3H3,(H2,27,28,30,32)