2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O3S3/c1-14(27-20-22-17-6-2-3-7-18(17)28-20)19(24)21-15-8-10-16(11-9-15)29(25,26)23-12-4-5-13-23/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,24)