4-butoxy-N-[2-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-butoxy-N-[2-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-butoxy-N-[2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-butoxy-N-[2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-butoxy-N-[2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-butoxy-N-[2-[[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3S2/c1-3-4-16-34-23-13-10-21(11-14-23)27(33)30-22-12-15-24-25(17-22)36-28(31-24)35-18-26(32)29-19(2)20-8-6-5-7-9-20/h5-15,17,19H,3-4,16,18H2,1-2H3,(H,29,32)(H,30,33)/t19-/m1/s1