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

Systemtic Name: N-[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl]-4-butoxy-benzamide Openeye Name: N-[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxo-ethyl]-4-butoxy-benzamide CAS Name: N-[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl]-4-butoxybenzamide IUPAC Name: N-[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl]-4-butoxybenzamide Traditional Name: N-[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-keto-ethyl]-4-butoxy-benzamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N(C)C(C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N(C)[C@H](C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H27N3O3S/c1-4-5-14-29-18-12-10-17(11-13-18)22(28)24-15-21(27)26(3)16(2)23-25-19-8-6-7-9-20(19)30-23/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,28)/t16-/m1/s1