4-butoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-butoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-butoxy-N-[2-(1-naphthylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-butoxy-N-[2-(1-naphthalenylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-butoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-butoxy-N-[2-(1-naphthylmethylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C29H26N2O2S2 MolecularWeight: 498.65894

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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)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H26N2O2S2/c1-2-3-17-33-24-14-11-21(12-15-24)28(32)30-23-13-16-26-27(18-23)35-29(31-26)34-19-22-9-6-8-20-7-4-5-10-25(20)22/h4-16,18H,2-3,17,19H2,1H3,(H,30,32)