N-[3-[(4-butoxyphenyl)carbonylcarbamothioylamino]phenyl]-2-methyl-benzamide

Systemtic Name: N-[3-[(4-butoxyphenyl)carbonylcarbamothioylamino]phenyl]-2-methyl-benzamide Openeye Name: N-[3-[(4-butoxybenzoyl)carbamothioylamino]phenyl]-2-methyl-benzamide CAS Name: N-[3-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylbenzamide IUPAC Name: N-[3-[(4-butoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide Traditional Name: N-[3-[(4-butoxybenzoyl)thiocarbamoylamino]phenyl]-2-methyl-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C26H27N3O3S/c1-3-4-16-32-22-14-12-19(13-15-22)24(30)29-26(33)28-21-10-7-9-20(17-21)27-25(31)23-11-6-5-8-18(23)2/h5-15,17H,3-4,16H2,1-2H3,(H,27,31)(H2,28,29,30,33)