2-azanyl-5-butyl-1,3-thiazol-4-one hydrate

Systemtic Name: 2-azanyl-5-butyl-1,3-thiazol-4-one hydrate Openeye Name: 2-amino-5-butyl-thiazol-4-one hydrate CAS Name: 2-amino-5-butyl-4-thiazolone hydrate IUPAC Name: 2-amino-5-butyl-1,3-thiazol-4-one hydrate Traditional Name: 2-amino-5-butyl-2-thiazolin-4-one hydrate Formula: C28H50N8O5S4 MolecularWeight: 707.0072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N=C(S1)N.CCCCC1C(=O)N=C(S1)N.CCCCC1C(=O)N=C(S1)N.CCCCC1C(=O)N=C(S1)N.O

Isomeric SMILES

CCCCC1C(=O)N=C(S1)N.CCCCC1C(=O)N=C(S1)N.CCCCC1C(=O)N=C(S1)N.CCCCC1C(=O)N=C(S1)N.O

InChI

InChI=1S/4C7H12N2OS.H2O/c4*1-2-3-4-5-6(10)9-7(8)11-5;/h4*5H,2-4H2,1H3,(H2,8,9,10);1H2