N-(4-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C17H16BrN3O3S3 MolecularWeight: 486.42624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC=C2Br)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C=CC=C2Br)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H16BrN3O3S3/c1-20-15-11(18)5-2-7-13(15)26-17(20)19-16(22)12-6-3-9-21(12)27(23,24)14-8-4-10-25-14/h2,4-5,7-8,10,12H,3,6,9H2,1H3