4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide

Systemtic Name: 4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide Openeye Name: 4-[(4-hexoxybenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide CAS Name: 4-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 4-[(4-hexoxybenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide Traditional Name: 4-[(4-hexoxybenzoyl)thiocarbamoylamino]-N-(1-phenylethyl)benzamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C29H33N3O3S/c1-3-4-5-9-20-35-26-18-14-24(15-19-26)28(34)32-29(36)31-25-16-12-23(13-17-25)27(33)30-21(2)22-10-7-6-8-11-22/h6-8,10-19,21H,3-5,9,20H2,1-2H3,(H,30,33)(H2,31,32,34,36)