4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(2,6-diethylphenyl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(2,6-diethylphenyl)butyramide Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H24N2OS2/c1-3-15-9-7-10-16(4-2)20(15)23-19(24)13-8-14-25-21-22-17-11-5-6-12-18(17)26-21/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,23,24)