N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]hexanamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]hexanamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]hexanamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]hexanamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]hexanamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NCC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCC(=O)NC(=S)NCC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3OS2/c1-2-3-4-9-19(25)24-21(26)22-14-15-10-12-16(13-11-15)20-23-17-7-5-6-8-18(17)27-20/h5-8,10-13H,2-4,9,14H2,1H3,(H2,22,24,25,26)