N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-4-butoxy-benzamide

Systemtic Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-4-butoxy-benzamide Openeye Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]-4-butoxy-benzamide CAS Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-4-butoxybenzamide IUPAC Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-4-butoxybenzamide Traditional Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl]-4-butoxy-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H25N3O3S/c1-3-4-13-28-17-11-9-16(10-12-17)22(27)23-14-21(26)25(2)15-20-24-18-7-5-6-8-19(18)29-20/h5-12H,3-4,13-15H2,1-2H3,(H,23,27)