1-[(2S,3S)-1-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxidanylidene-pentan-2-yl]urea

Systemtic Name: 1-[(2S,3S)-1-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxidanylidene-pentan-2-yl]urea Openeye Name: [(1S,2S)-1-[[(4-butylphenyl)carbamothioylamino]carbamoyl]-2-methyl-butyl]urea CAS Name: [(2S,3S)-1-[[(4-butylanilino)-sulfanylidenemethyl]hydrazo]-3-methyl-1-oxopentan-2-yl]urea IUPAC Name: [(2S,3S)-1-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea Traditional Name: [(1S,2S)-1-[[(4-butylphenyl)thiocarbamoylamino]carbamoyl]-2-methyl-butyl]urea Formula: C18H29N5O2S MolecularWeight: 379.52016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O2S/c1-4-6-7-13-8-10-14(11-9-13)20-18(26)23-22-16(24)15(12(3)5-2)21-17(19)25/h8-12,15H,4-7H2,1-3H3,(H,22,24)(H3,19,21,25)(H2,20,23,26)/t12-,15-/m0/s1