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

Systemtic Name: N-butyl-3-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-butyl-3-[(4-isopropylbenzoyl)carbamothioylamino]benzamide CAS Name: N-butyl-3-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzamide Traditional Name: N-butyl-3-(cumoylthiocarbamoylamino)benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C22H27N3O2S/c1-4-5-13-23-20(26)18-7-6-8-19(14-18)24-22(28)25-21(27)17-11-9-16(10-12-17)15(2)3/h6-12,14-15H,4-5,13H2,1-3H3,(H,23,26)(H2,24,25,27,28)