N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-pyrrolidinosulfonyl-benzamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CSCCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O3S3/c1-28-15-14-24-18-6-2-3-7-19(18)29-21(24)22-20(25)16-8-10-17(11-9-16)30(26,27)23-12-4-5-13-23/h2-3,6-11H,4-5,12-15H2,1H3