4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methylthiazol-2-yl)-N-phenyl-butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(4-methyl-2-thiazolyl)-N-phenylbutanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(4-methylthiazol-2-yl)-N-phenyl-butyramide Formula: C21H19N3OS3 MolecularWeight: 425.59006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3OS3/c1-15-14-27-20(22-15)24(16-8-3-2-4-9-16)19(25)12-7-13-26-21-23-17-10-5-6-11-18(17)28-21/h2-6,8-11,14H,7,12-13H2,1H3