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

Systemtic Name: N-[(2S)-1-[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]hydrazinyl]-1-oxidanylidene-propan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-2-[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]hydrazino]-1-methyl-2-oxo-ethyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]hydrazo]-1-oxopropan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-[2-[(2-ethyl-6-methylphenyl)carbamothioyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-2-[N'-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]hydrazino]-2-keto-1-methyl-ethyl]-3-methyl-benzamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-5-16-10-7-9-14(3)18(16)23-21(28)25-24-19(26)15(4)22-20(27)17-11-6-8-13(2)12-17/h6-12,15H,5H2,1-4H3,(H,22,27)(H,24,26)(H2,23,25,28)/t15-/m0/s1