3-(4-chlorophenyl)sulfanyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)propanamide

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)propanamide Openeye Name: 3-(4-chlorophenyl)sulfanyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)propanamide IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)propanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)propionamide Formula: C23H21ClN2O2S2 MolecularWeight: 457.00804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CO3)C(=O)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CO3)C(=O)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN2O2S2/c1-15-12-20-21(13-16(15)2)30-23(25-20)26(14-18-4-3-10-28-18)22(27)9-11-29-19-7-5-17(24)6-8-19/h3-8,10,12-13H,9,11,14H2,1-2H3