4-[[(2S)-2-ethylhexyl]carbamothioylamino]-N,N-dimethyl-benzamide

Systemtic Name: 4-[[(2S)-2-ethylhexyl]carbamothioylamino]-N,N-dimethyl-benzamide Openeye Name: 4-[[(2S)-2-ethylhexyl]carbamothioylamino]-N,N-dimethyl-benzamide CAS Name: 4-[[[[(2S)-2-ethylhexyl]amino]-sulfanylidenemethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 4-[[(2S)-2-ethylhexyl]carbamothioylamino]-N,N-dimethylbenzamide Traditional Name: 4-[[(2S)-2-ethylhexyl]thiocarbamoylamino]-N,N-dimethyl-benzamide Formula: C18H29N3OS MolecularWeight: 335.50736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=CC=C(C=C1)C(=O)N(C)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NC1=CC=C(C=C1)C(=O)N(C)C

InChI

InChI=1S/C18H29N3OS/c1-5-7-8-14(6-2)13-19-18(23)20-16-11-9-15(10-12-16)17(22)21(3)4/h9-12,14H,5-8,13H2,1-4H3,(H2,19,20,23)/t14-/m0/s1