N-cyclohexyl-2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-methyl-benzamide

Systemtic Name: N-cyclohexyl-2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-methyl-benzamide Openeye Name: N-cyclohexyl-2-[(4-hexoxybenzoyl)carbamothioylamino]-N-methyl-benzamide CAS Name: N-cyclohexyl-2-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-methylbenzamide IUPAC Name: N-cyclohexyl-2-[(4-hexoxybenzoyl)carbamothioylamino]-N-methylbenzamide Traditional Name: N-cyclohexyl-2-[(4-hexoxybenzoyl)thiocarbamoylamino]-N-methyl-benzamide Formula: C28H37N3O3S MolecularWeight: 495.67668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)C3CCCCC3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)C3CCCCC3

InChI

InChI=1S/C28H37N3O3S/c1-3-4-5-11-20-34-23-18-16-21(17-19-23)26(32)30-28(35)29-25-15-10-9-14-24(25)27(33)31(2)22-12-7-6-8-13-22/h9-10,14-19,22H,3-8,11-13,20H2,1-2H3,(H2,29,30,32,35)