N-(4-ethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzamide CAS Name: N-(4-ethoxyphenyl)-4-[[[[(1S,2S)-2-methylcyclohexyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzamide Traditional Name: 4-[[(1S,2S)-2-methylcyclohexyl]thiocarbamoylamino]-N-p-phenetyl-benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NC3CCCCC3C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)N[C@H]3CCCC[C@@H]3C

InChI

InChI=1S/C23H29N3O2S/c1-3-28-20-14-12-18(13-15-20)24-22(27)17-8-10-19(11-9-17)25-23(29)26-21-7-5-4-6-16(21)2/h8-16,21H,3-7H2,1-2H3,(H,24,27)(H2,25,26,29)/t16-,21-/m0/s1