5-[(4-hexylphenyl)amino]-2-methyl-1,3-benzothiazole-4,7-dione

Systemtic Name: 5-[(4-hexylphenyl)amino]-2-methyl-1,3-benzothiazole-4,7-dione Openeye Name: 5-(4-hexylanilino)-2-methyl-1,3-benzothiazole-4,7-dione CAS Name: 5-(4-hexylanilino)-2-methyl-1,3-benzothiazole-4,7-dione IUPAC Name: 5-(4-hexylanilino)-2-methyl-1,3-benzothiazole-4,7-dione Traditional Name: 5-(4-hexylanilino)-2-methyl-1,3-benzothiazole-4,7-quinone Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)N=C(S3)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)N=C(S3)C

InChI

InChI=1S/C20H22N2O2S/c1-3-4-5-6-7-14-8-10-15(11-9-14)22-16-12-17(23)20-18(19(16)24)21-13(2)25-20/h8-12,22H,3-7H2,1-2H3