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

Systemtic Name: N-cyclohexyl-2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-methyl-benzamide Openeye Name: N-cyclohexyl-2-[(4-heptoxybenzoyl)carbamothioylamino]-N-methyl-benzamide CAS Name: N-cyclohexyl-2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-methylbenzamide IUPAC Name: N-cyclohexyl-2-[(4-heptoxybenzoyl)carbamothioylamino]-N-methylbenzamide Traditional Name: N-cyclohexyl-2-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-methyl-benzamide Formula: C29H39N3O3S MolecularWeight: 509.70326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)C3CCCCC3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)C3CCCCC3

InChI

InChI=1S/C29H39N3O3S/c1-3-4-5-6-12-21-35-24-19-17-22(18-20-24)27(33)31-29(36)30-26-16-11-10-15-25(26)28(34)32(2)23-13-8-7-9-14-23/h10-11,15-20,23H,3-9,12-14,21H2,1-2H3,(H2,30,31,33,36)