[4-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]benzyl]-diethyl-ammonium Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H24N4OS/c1-3-24(4-2)14-16-11-9-15(10-12-16)13-21-19(25)23-20-22-17-7-5-6-8-18(17)26-20/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,23,25)/p+1