N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(2-pyridylmethyl)butyramide Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H27N3O3S2/c1-18-9-14-22(32-3)24-25(18)34-26(28-24)29(17-19-7-4-5-15-27-19)23(30)8-6-16-33-21-12-10-20(31-2)11-13-21/h4-5,7,9-15H,6,8,16-17H2,1-3H3