N-(3-methyl-1-oxidanylidene-1-thiomorpholin-4-yl-butan-2-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(3-methyl-1-oxidanylidene-1-thiomorpholin-4-yl-butan-2-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-methyl-1-(thiomorpholine-4-carbonyl)propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-(3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl)-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-methyl-1-(thiomorpholine-4-carbonyl)propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S2/c1-14(2)18(20(27)24-9-11-28-12-10-24)23-19(26)15-5-6-16-17(13-15)29-21(22-16)25-7-3-4-8-25/h3-8,13-14,18H,9-12H2,1-2H3,(H,23,26)