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

Systemtic Name: 4-butoxy-N-[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-butoxy-N-[2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-butoxy-N-[2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-butoxy-N-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-butoxy-N-[2-[[2-(4-ethylanilino)-2-keto-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)NC4=CC=C(C=C4)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)CC

InChI

InChI=1S/C28H29N3O3S2/c1-3-5-16-34-23-13-8-20(9-14-23)27(33)30-22-12-15-24-25(17-22)36-28(31-24)35-18-26(32)29-21-10-6-19(4-2)7-11-21/h6-15,17H,3-5,16,18H2,1-2H3,(H,29,32)(H,30,33)