2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chloranyl-4-morpholin-4-yl-phenyl)ethanamide

Systemtic Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chloranyl-4-morpholin-4-yl-phenyl)ethanamide Openeye Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chloro-4-morpholino-phenyl)acetamide CAS Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]-N-[3-chloro-4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]-N-(3-chloro-4-morpholino-phenyl)acetamide Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC(=C(C=C3)N4CCOCC4)Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC(=C(C=C3)N4CCOCC4)Cl

InChI

InChI=1S/C21H21ClN4O3S2/c1-13(27)23-15-2-4-17-19(11-15)31-21(25-17)30-12-20(28)24-14-3-5-18(16(22)10-14)26-6-8-29-9-7-26/h2-5,10-11H,6-9,12H2,1H3,(H,23,27)(H,24,28)