N-[2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide

Systemtic Name: N-[2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide Openeye Name: N-[2-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide CAS Name: N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]-1-naphthalenecarboxamide IUPAC Name: N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide Traditional Name: N-[2-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-1,3-benzothiazol-6-yl]-1-naphthamide Formula: C30H26N2O2S2 MolecularWeight: 510.66964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C30H26N2O2S2/c1-17-14-18(2)28(20(4)33)19(3)25(17)16-35-30-32-26-13-12-22(15-27(26)36-30)31-29(34)24-11-7-9-21-8-5-6-10-23(21)24/h5-15H,16H2,1-4H3,(H,31,34)