N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]valeramide Formula: C17H23N3OS2 MolecularWeight: 349.51402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CCCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CCCC

InChI

InChI=1S/C17H23N3OS2/c1-3-5-7-12-9-10-13-14(11-12)23-17(18-13)20-16(22)19-15(21)8-6-4-2/h9-11H,3-8H2,1-2H3,(H2,18,19,20,21,22)