N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide

Systemtic Name: N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide Openeye Name: N-[2-(1-naphthylmethylsulfanyl)-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide CAS Name: N-[2-(1-naphthalenylmethylthio)-1,3-benzothiazol-6-yl]-1-naphthalenecarboxamide IUPAC Name: N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide Traditional Name: N-[2-(1-naphthylmethylthio)-1,3-benzothiazol-6-yl]-1-naphthamide Formula: C29H20N2OS2 MolecularWeight: 476.6119

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H20N2OS2/c32-28(25-14-6-10-20-8-2-4-13-24(20)25)30-22-15-16-26-27(17-22)34-29(31-26)33-18-21-11-5-9-19-7-1-3-12-23(19)21/h1-17H,18H2,(H,30,32)