1-[4-[6-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]indol-1-yl]-1-oxidanyl-butyl]imidazole-4-carboxamide

Systemtic Name: 1-[4-[6-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]indol-1-yl]-1-oxidanyl-butyl]imidazole-4-carboxamide Openeye Name: 1-[4-[6-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]indol-1-yl]-1-hydroxy-butyl]imidazole-4-carboxamide CAS Name: 1-[4-[6-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-1-indolyl]-1-hydroxybutyl]-4-imidazolecarboxamide IUPAC Name: 1-[4-[6-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]indol-1-yl]-1-hydroxybutyl]imidazole-4-carboxamide Traditional Name: 1-[4-[6-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]indol-1-yl]-1-hydroxy-butyl]imidazole-4-carboxamide Formula: C25H24N6O3S2 MolecularWeight: 520.62646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC4=C(C=C3)C=CN4CCCC(N5C=C(N=C5)C(=O)N)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC4=C(C=C3)C=CN4CCCC(N5C=C(N=C5)C(=O)N)O

InChI

InChI=1S/C25H24N6O3S2/c26-24(34)19-13-31(15-27-19)23(33)6-3-10-30-11-9-16-7-8-17(12-20(16)30)28-22(32)14-35-25-29-18-4-1-2-5-21(18)36-25/h1-2,4-5,7-9,11-13,15,23,33H,3,6,10,14H2,(H2,26,34)(H,28,32)