N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3-methyl-benzamide

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-3-methyl-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C22H27N3O3S/c1-3-4-5-6-14-28-19-12-10-17(11-13-19)21(27)24-25-22(29)23-20(26)18-9-7-8-16(2)15-18/h7-13,15H,3-6,14H2,1-2H3,(H,24,27)(H2,23,25,26,29)