1-(phenylsulfonyl)thiourea hydrate

Systemtic Name: 1-(phenylsulfonyl)thiourea hydrate Openeye Name: benzenesulfonylthiourea hydrate CAS Name: benzenesulfonylthiourea hydrate IUPAC Name: benzenesulfonylthiourea hydrate Traditional Name: besylthiourea hydrate Formula: C14H18N4O5S4 MolecularWeight: 450.57652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(=S)N.C1=CC=C(C=C1)S(=O)(=O)NC(=S)N.O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(=S)N.C1=CC=C(C=C1)S(=O)(=O)NC(=S)N.O

InChI

InChI=1S/2C7H8N2O2S2.H2O/c2*8-7(12)9-13(10,11)6-4-2-1-3-5-6;/h2*1-5H,(H3,8,9,12);1H2