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

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]pentanamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]pentanamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]pentanamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]valeramide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S2/c1-3-4-9-18(24)23-20(26)22-15-12-13(10-11-16(15)25-2)19-21-14-7-5-6-8-17(14)27-19/h5-8,10-12H,3-4,9H2,1-2H3,(H2,22,23,24,26)