2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-dimethylaminophenyl)propanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-dimethylaminophenyl)propanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-dimethylaminophenyl)propanamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(4-dimethylaminophenyl)propanamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-dimethylaminophenyl)propanamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(4-dimethylaminophenyl)propionamide Formula: C18H18ClN3OS2 MolecularWeight: 391.93802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C18H18ClN3OS2/c1-11(17(23)20-13-5-7-14(8-6-13)22(2)3)24-18-21-15-10-12(19)4-9-16(15)25-18/h4-11H,1-3H3,(H,20,23)