potassium; 2-(1,3-benzothiazol-2-ylsulfanylmethyl)butanedioate; N-propylmethanamide

Systemtic Name: potassium; 2-(1,3-benzothiazol-2-ylsulfanylmethyl)butanedioate; N-propylmethanamide Openeye Name: potassium; 2-(1,3-benzothiazol-2-ylsulfanylmethyl)butanedioate; N-propylformamide CAS Name: potassium; 2-[(1,3-benzothiazol-2-ylthio)methyl]butanedioate; N-propylformamide IUPAC Name: potassium; 2-(1,3-benzothiazol-2-ylsulfanylmethyl)butanedioate; N-propylformamide Traditional Name: potassium; 2-[(1,3-benzothiazol-2-ylthio)methyl]succinate; N-propylformamide Formula: C16H18KN2O5S2- MolecularWeight: 421.55282

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC=O.C1=CC=C2C(=C1)N=C(S2)SCC(CC(=O)[O-])C(=O)[O-].[K+]

Isomeric SMILES

CCCNC=O.C1=CC=C2C(=C1)N=C(S2)SCC(CC(=O)[O-])C(=O)[O-].[K+]

InChI

InChI=1S/C12H11NO4S2.C4H9NO.K/c14-10(15)5-7(11(16)17)6-18-12-13-8-3-1-2-4-9(8)19-12;1-2-3-5-4-6;/h1-4,7H,5-6H2,(H,14,15)(H,16,17);4H,2-3H2,1H3,(H,5,6);/q;;+1/p-2