N-[2-[[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: N-[2-[[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: N-[2-[[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-[2-[[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: N-[2-[[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: 5-keto-N-[2-keto-2-[[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]amino]ethyl]pyrrolidine-2-carboxamide Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CNC(=O)C3CCC(=O)N3)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CNC(=O)C3CCC(=O)N3)OC

InChI

InChI=1S/C20H26N4O4S2/c1-20(2,28-3)8-9-29-19-24-13-5-4-12(10-15(13)30-19)22-17(26)11-21-18(27)14-6-7-16(25)23-14/h4-5,10,14H,6-9,11H2,1-3H3,(H,21,27)(H,22,26)(H,23,25)