S-[[1-(4-oxidanylbutyl)pyrazol-3-yl]carbamoylamino] benzenecarbothioate

Systemtic Name: S-[[1-(4-oxidanylbutyl)pyrazol-3-yl]carbamoylamino] benzenecarbothioate Openeye Name: S-[[1-(4-hydroxybutyl)pyrazol-3-yl]carbamoylamino] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[[[1-(4-hydroxybutyl)-3-pyrazolyl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[1-(4-hydroxybutyl)pyrazol-3-yl]carbamoylamino] benzenecarbothioate Traditional Name: thiobenzoic acid S-[[1-(4-hydroxybutyl)pyrazol-3-yl]carbamoylamino] ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SNC(=O)NC2=NN(C=C2)CCCCO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SNC(=O)NC2=NN(C=C2)CCCCO

InChI

InChI=1S/C15H18N4O3S/c20-11-5-4-9-19-10-8-13(17-19)16-15(22)18-23-14(21)12-6-2-1-3-7-12/h1-3,6-8,10,20H,4-5,9,11H2,(H2,16,17,18,22)