N-[(2S,3S)-1-[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: N-[(2S,3S)-1-[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[(1S,2S)-1-[[(2-ethyl-6-methyl-phenyl)carbamothioylamino]carbamoyl]-2-methyl-butyl]benzamide CAS Name: N-[(2S,3S)-1-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]hydrazo]-3-methyl-1-oxopentan-2-yl]benzamide IUPAC Name: N-[(2S,3S)-1-[2-[(2-ethyl-6-methylphenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide Traditional Name: N-[(1S,2S)-1-[[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]carbamoyl]-2-methyl-butyl]benzamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C(C(C)CC)NC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)[C@H]([C@@H](C)CC)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C23H30N4O2S/c1-5-15(3)20(24-21(28)18-12-8-7-9-13-18)22(29)26-27-23(30)25-19-16(4)11-10-14-17(19)6-2/h7-15,20H,5-6H2,1-4H3,(H,24,28)(H,26,29)(H2,25,27,30)/t15-,20-/m0/s1