N-(2-azanyl-2-oxidanylidene-ethyl)-4-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]methyl]benzamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-4-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]methyl]benzamide Openeye Name: N-(2-amino-2-oxo-ethyl)-4-[[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]methyl]benzamide CAS Name: N-(2-amino-2-oxoethyl)-4-[[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]methyl]benzamide IUPAC Name: N-(2-amino-2-oxoethyl)-4-[[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]methyl]benzamide Traditional Name: N-(2-amino-2-keto-ethyl)-4-[[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]methyl]benzamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CSCC(=O)NCC3=CC=C(C=C3)C(=O)NCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CSCC(=O)NCC3=CC=C(C=C3)C(=O)NCC(=O)N

InChI

InChI=1S/C20H20N4O3S2/c21-17(25)10-23-20(27)14-7-5-13(6-8-14)9-22-18(26)11-28-12-19-24-15-3-1-2-4-16(15)29-19/h1-8H,9-12H2,(H2,21,25)(H,22,26)(H,23,27)