N-[(2S)-1-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[[(4-butylphenyl)carbamothioylamino]carbamoyl]-2-methyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[[(4-butylanilino)-sulfanylidenemethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[2-[(4-butylphenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[[(4-butylphenyl)thiocarbamoylamino]carbamoyl]-2-methyl-propyl]-2-furamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C(C(C)C)NC(=O)C2=CC=CO2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)[C@H](C(C)C)NC(=O)C2=CC=CO2

InChI

InChI=1S/C21H28N4O3S/c1-4-5-7-15-9-11-16(12-10-15)22-21(29)25-24-20(27)18(14(2)3)23-19(26)17-8-6-13-28-17/h6,8-14,18H,4-5,7H2,1-3H3,(H,23,26)(H,24,27)(H2,22,25,29)/t18-/m0/s1