2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-(3-oxidanylpropyl)benzamide

Systemtic Name: 2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-(3-oxidanylpropyl)benzamide Openeye Name: 2-[(4-tert-butylbenzoyl)carbamothioylamino]-N-(3-hydroxypropyl)benzamide CAS Name: 2-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(3-hydroxypropyl)benzamide IUPAC Name: 2-[(4-tert-butylbenzoyl)carbamothioylamino]-N-(3-hydroxypropyl)benzamide Traditional Name: 2-[(4-tert-butylbenzoyl)thiocarbamoylamino]-N-(3-hydroxypropyl)benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO

InChI

InChI=1S/C22H27N3O3S/c1-22(2,3)16-11-9-15(10-12-16)19(27)25-21(29)24-18-8-5-4-7-17(18)20(28)23-13-6-14-26/h4-5,7-12,26H,6,13-14H2,1-3H3,(H,23,28)(H2,24,25,27,29)