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

Systemtic Name: 2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-phenethyl-benzamide Openeye Name: 2-[(4-butoxybenzoyl)carbamothioylamino]-N-phenethyl-benzamide CAS Name: 2-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[(4-butoxybenzoyl)carbamothioylamino]-N-phenethylbenzamide Traditional Name: 2-[(4-butoxybenzoyl)thiocarbamoylamino]-N-phenethyl-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-2-3-19-33-22-15-13-21(14-16-22)25(31)30-27(34)29-24-12-8-7-11-23(24)26(32)28-18-17-20-9-5-4-6-10-20/h4-16H,2-3,17-19H2,1H3,(H,28,32)(H2,29,30,31,34)