N-[(2S)-1-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-1-oxidanylidene-propan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(2S)-1-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-1-oxidanylidene-propan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-2-[2-[(4-butylphenyl)carbamothioyl]hydrazino]-1-methyl-2-oxo-ethyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-[[(4-butylanilino)-sulfanylidenemethyl]hydrazo]-1-oxopropan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-2-[N'-[(4-butylphenyl)thiocarbamoyl]hydrazino]-2-keto-1-methyl-ethyl]-3-methyl-benzamide Formula: C22H28N4O2S MolecularWeight: 412.54832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C(C)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)[C@H](C)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C22H28N4O2S/c1-4-5-8-17-10-12-19(13-11-17)24-22(29)26-25-20(27)16(3)23-21(28)18-9-6-7-15(2)14-18/h6-7,9-14,16H,4-5,8H2,1-3H3,(H,23,28)(H,25,27)(H2,24,26,29)/t16-/m0/s1