N-(furan-2-ylmethyl)-N'-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]pentanediamide

Systemtic Name: N-(furan-2-ylmethyl)-N'-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]pentanediamide Openeye Name: N-(2-furylmethyl)-N'-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]pentanediamide CAS Name: N-(2-furanylmethyl)-N'-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]pentanediamide IUPAC Name: N-(furan-2-ylmethyl)-N'-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]pentanediamide Traditional Name: N-(2-furfuryl)-N'-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]glutaramide Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC(=O)NCC3=CC=CO3)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC(=O)NCC3=CC=CO3)OC

InChI

InChI=1S/C23H29N3O4S2/c1-23(2,29-3)11-13-31-22-26-18-10-9-16(14-19(18)32-22)25-21(28)8-4-7-20(27)24-15-17-6-5-12-30-17/h5-6,9-10,12,14H,4,7-8,11,13,15H2,1-3H3,(H,24,27)(H,25,28)