2-(1,3-benzothiazol-2-ylamino)-5-[(4-butylphenyl)methyl]-1,3-thiazol-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-5-[(4-butylphenyl)methyl]-1,3-thiazol-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-5-[(4-butylphenyl)methyl]thiazol-4-one CAS Name: 2-(1,3-benzothiazol-2-ylamino)-5-[(4-butylphenyl)methyl]-4-thiazolone IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-5-[(4-butylphenyl)methyl]-1,3-thiazol-4-one Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-5-(4-butylbenzyl)-2-thiazolin-4-one Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC2C(=O)N=C(S2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC2C(=O)N=C(S2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3OS2/c1-2-3-6-14-9-11-15(12-10-14)13-18-19(25)23-21(27-18)24-20-22-16-7-4-5-8-17(16)26-20/h4-5,7-12,18H,2-3,6,13H2,1H3,(H,22,23,24,25)