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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)sulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[(4-chlorophenyl)thio]-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-[(4-chlorophenyl)thio]-N-(2-pyridylmethyl)butyramide Formula: C23H20ClN3OS2 MolecularWeight: 454.0074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN3OS2/c24-17-10-12-19(13-11-17)29-15-5-9-22(28)27(16-18-6-3-4-14-25-18)23-26-20-7-1-2-8-21(20)30-23/h1-4,6-8,10-14H,5,9,15-16H2