N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide

Systemtic Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide Openeye Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide CAS Name: N-[2-[(4-tert-butylphenyl)methylthio]-1,3-benzothiazol-6-yl]-1-naphthalenecarboxamide IUPAC Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide Traditional Name: N-[2-[(4-tert-butylbenzyl)thio]-1,3-benzothiazol-6-yl]-1-naphthamide Formula: C29H26N2OS2 MolecularWeight: 482.65954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H26N2OS2/c1-29(2,3)21-13-11-19(12-14-21)18-33-28-31-25-16-15-22(17-26(25)34-28)30-27(32)24-10-6-8-20-7-4-5-9-23(20)24/h4-17H,18H2,1-3H3,(H,30,32)