N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]hexanamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C21H23N3OS2/c1-3-4-5-6-19(25)24-21(26)22-16-10-8-15(9-11-16)20-23-17-12-7-14(2)13-18(17)27-20/h7-13H,3-6H2,1-2H3,(H2,22,24,25,26)