N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methyl-2-quinolyl)thio]butyramide Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)SC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)SC3=NC4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C22H21N3OS2/c1-4-18(27-20-12-14(3)15-7-5-6-8-16(15)23-20)21(26)25-22-24-17-10-9-13(2)11-19(17)28-22/h5-12,18H,4H2,1-3H3,(H,24,25,26)