N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]hexanamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]hexanamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]hexanamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]hexanamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C21H23N3O2S2/c1-3-4-5-10-19(25)24-21(27)23-16-13-14(11-12-17(16)26-2)20-22-15-8-6-7-9-18(15)28-20/h6-9,11-13H,3-5,10H2,1-2H3,(H2,23,24,25,27)