N-[(2S)-1-oxidanylidene-1-thiomorpholin-4-yl-propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-thiomorpholin-4-yl-propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-thiomorpholino-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-thiomorpholino-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCSCC1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCSCC1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C19H20N4O2S2/c1-13(18(25)22-8-10-26-11-9-22)20-17(24)14-4-5-15-16(12-14)27-19(21-15)23-6-2-3-7-23/h2-7,12-13H,8-11H2,1H3,(H,20,24)/t13-/m0/s1