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

Systemtic Name: 4-decoxy-N-[2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-decoxy-N-[2-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-decoxy-N-[2-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-decoxy-N-[2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-decoxy-N-[2-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C36H45N3O3S2 MolecularWeight: 631.8908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=C(C=CC=C4CC)CC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=C(C=CC=C4CC)CC

InChI

InChI=1S/C36H45N3O3S2/c1-4-7-8-9-10-11-12-13-23-42-30-20-17-28(18-21-30)35(41)37-29-19-22-31-32(24-29)44-36(38-31)43-25-33(40)39-34-26(5-2)15-14-16-27(34)6-3/h14-22,24H,4-13,23,25H2,1-3H3,(H,37,41)(H,39,40)