N-[(1R)-3-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-3-oxidanylidene-1-phenyl-propyl]ethanamide

Systemtic Name: N-[(1R)-3-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-3-oxidanylidene-1-phenyl-propyl]ethanamide Openeye Name: N-[(1R)-3-[2-[(4-butylphenyl)carbamothioyl]hydrazino]-3-oxo-1-phenyl-propyl]acetamide CAS Name: N-[(1R)-3-[[(4-butylanilino)-sulfanylidenemethyl]hydrazo]-3-oxo-1-phenylpropyl]acetamide IUPAC Name: N-[(1R)-3-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide Traditional Name: N-[(1R)-3-[N'-[(4-butylphenyl)thiocarbamoyl]hydrazino]-3-keto-1-phenyl-propyl]acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S/c1-3-4-8-17-11-13-19(14-12-17)24-22(29)26-25-21(28)15-20(23-16(2)27)18-9-6-5-7-10-18/h5-7,9-14,20H,3-4,8,15H2,1-2H3,(H,23,27)(H,25,28)(H2,24,26,29)/t20-/m1/s1