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

Systemtic Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]valeramide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS2/c1-3-4-5-18(24)23-20(25)21-15-9-7-14(8-10-15)19-22-16-11-6-13(2)12-17(16)26-19/h6-12H,3-5H2,1-2H3,(H2,21,23,24,25)