N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-chloranyl-5-methylsulfanyl-benzamide

Systemtic Name: N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-chloranyl-5-methylsulfanyl-benzamide Openeye Name: N-[4-[4-(3-acetamidopropyl)phenyl]thiazol-2-yl]-2-chloro-5-methylsulfanyl-benzamide CAS Name: N-[4-[4-(3-acetamidopropyl)phenyl]-2-thiazolyl]-2-chloro-5-(methylthio)benzamide IUPAC Name: N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-chloro-5-methylsulfanylbenzamide Traditional Name: N-[4-[4-(3-acetamidopropyl)phenyl]thiazol-2-yl]-2-chloro-5-(methylthio)benzamide Formula: C22H22ClN3O2S2 MolecularWeight: 460.01198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C22H22ClN3O2S2/c1-14(27)24-11-3-4-15-5-7-16(8-6-15)20-13-30-22(25-20)26-21(28)18-12-17(29-2)9-10-19(18)23/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,27)(H,25,26,28)