N-[2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[2-[[2-oxo-2-(phenethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]-2-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[2-[[2-keto-2-(phenethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide Formula: C29H28N4O3S2 MolecularWeight: 544.68762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O3S2/c34-26(30-15-14-20-8-2-1-3-9-20)19-37-29-32-24-13-12-21(18-25(24)38-29)31-27(35)22-10-4-5-11-23(22)28(36)33-16-6-7-17-33/h1-5,8-13,18H,6-7,14-17,19H2,(H,30,34)(H,31,35)