4-(4-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(2-furylmethyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(2-furanylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(2-furfuryl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)butyramide Formula: C25H25ClN2O2S2 MolecularWeight: 485.0612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H25ClN2O2S2/c1-17(2)21-7-3-8-22-24(21)27-25(32-22)28(16-19-6-4-14-30-19)23(29)9-5-15-31-20-12-10-18(26)11-13-20/h3-4,6-8,10-14,17H,5,9,15-16H2,1-2H3