[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-thiomorpholin-4-yl-methanone Openeye Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-thiomorpholino-methanone CAS Name: [2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazol-6-yl]-thiomorpholin-4-ylmethanone IUPAC Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-thiomorpholin-4-ylmethanone Traditional Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-thiomorpholino-methanone Formula: C18H19N3OS2 MolecularWeight: 357.49296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCSCC4)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCSCC4)C

InChI

InChI=1S/C18H19N3OS2/c1-12-3-4-13(2)21(12)18-19-15-6-5-14(11-16(15)24-18)17(22)20-7-9-23-10-8-20/h3-6,11H,7-10H2,1-2H3