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

Systemtic Name: 2-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]-N-propyl-benzamide Openeye Name: 2-[(4-isopropylbenzoyl)carbamothioylamino]-N-propyl-benzamide CAS Name: 2-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 2-[(4-propan-2-ylbenzoyl)carbamothioylamino]-N-propylbenzamide Traditional Name: 2-(cumoylthiocarbamoylamino)-N-propyl-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H25N3O2S/c1-4-13-22-20(26)17-7-5-6-8-18(17)23-21(27)24-19(25)16-11-9-15(10-12-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,26)(H2,23,24,25,27)