N-(1,3-benzothiazol-2-yl)-2-[[2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)sulfanylmethyl]-3-phenyl-propanoyl]amino]pentanediamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[[2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)sulfanylmethyl]-3-phenyl-propanoyl]amino]pentanediamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[[2-benzyl-3-[(3-oxo-1H-isobenzofuran-1-yl)sulfanyl]propanoyl]amino]pentanediamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[1-oxo-2-[[(3-oxo-1H-isobenzofuran-1-yl)thio]methyl]-3-phenylpropyl]amino]pentanediamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[[2-benzyl-3-[(3-oxo-1H-2-benzofuran-1-yl)sulfanyl]propanoyl]amino]pentanediamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[2-benzyl-3-(phthalidylthio)propanoyl]amino]glutaramide Formula: C30H28N4O5S2 MolecularWeight: 588.69712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC2C3=CC=CC=C3C(=O)O2)C(=O)NC(CCC(=O)N)C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC2C3=CC=CC=C3C(=O)O2)C(=O)NC(CCC(=O)N)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C30H28N4O5S2/c31-25(35)15-14-23(27(37)34-30-33-22-12-6-7-13-24(22)41-30)32-26(36)19(16-18-8-2-1-3-9-18)17-40-29-21-11-5-4-10-20(21)28(38)39-29/h1-13,19,23,29H,14-17H2,(H2,31,35)(H,32,36)(H,33,34,37)