N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide

Systemtic Name: N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide Openeye Name: N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide CAS Name: N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide Traditional Name: N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]valeramide Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)N3CCOCC3

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)N3CCOCC3

InChI

InChI=1S/C17H22N4O2S2/c1-2-3-4-15(22)19-16(24)20-17-18-13-6-5-12(11-14(13)25-17)21-7-9-23-10-8-21/h5-6,11H,2-4,7-10H2,1H3,(H2,18,19,20,22,24)