2-[(3-butoxyphenyl)carbonylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide

Systemtic Name: 2-[(3-butoxyphenyl)carbonylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide Openeye Name: 2-[(3-butoxybenzoyl)carbamothioyl-methyl-amino]-N-phenethyl-benzamide CAS Name: 2-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-methylamino]-N-phenethylbenzamide IUPAC Name: 2-[(3-butoxybenzoyl)carbamothioyl-methylamino]-N-phenethylbenzamide Traditional Name: 2-[(3-butoxybenzoyl)thiocarbamoyl-methyl-amino]-N-phenethyl-benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O3S/c1-3-4-19-34-23-14-10-13-22(20-23)26(32)30-28(35)31(2)25-16-9-8-15-24(25)27(33)29-18-17-21-11-6-5-7-12-21/h5-16,20H,3-4,17-19H2,1-2H3,(H,29,33)(H,30,32,35)