2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-(2-methoxyethyl)benzamide

Systemtic Name: 2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-(2-methoxyethyl)benzamide Openeye Name: 2-[(4-butoxybenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide CAS Name: 2-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(2-methoxyethyl)benzamide IUPAC Name: 2-[(4-butoxybenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide Traditional Name: 2-[(4-butoxybenzoyl)thiocarbamoylamino]-N-(2-methoxyethyl)benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCOC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCOC

InChI

InChI=1S/C22H27N3O4S/c1-3-4-14-29-17-11-9-16(10-12-17)20(26)25-22(30)24-19-8-6-5-7-18(19)21(27)23-13-15-28-2/h5-12H,3-4,13-15H2,1-2H3,(H,23,27)(H2,24,25,26,30)