1-[(2S)-1-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea

Systemtic Name: 1-[(2S)-1-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-1-[[(4-butylphenyl)carbamothioylamino]carbamoyl]-3-methylsulfanyl-propyl]urea CAS Name: [(2S)-1-[[(4-butylanilino)-sulfanylidenemethyl]hydrazo]-4-(methylthio)-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-1-[[(4-butylphenyl)thiocarbamoylamino]carbamoyl]-3-(methylthio)propyl]urea Formula: C17H27N5O2S2 MolecularWeight: 397.55858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5O2S2/c1-3-4-5-12-6-8-13(9-7-12)19-17(25)22-21-15(23)14(10-11-26-2)20-16(18)24/h6-9,14H,3-5,10-11H2,1-2H3,(H,21,23)(H3,18,20,24)(H2,19,22,25)/t14-/m0/s1