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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chloranyl-4-methyl-phenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chloro-4-methyl-phenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(3-chloro-4-methylphenyl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(3-chloro-4-methyl-phenyl)butyramide Formula: C18H17ClN2OS2 MolecularWeight: 376.92338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H17ClN2OS2/c1-12-8-9-13(11-14(12)19)20-17(22)7-4-10-23-18-21-15-5-2-3-6-16(15)24-18/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,22)