N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)CCCSC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)CCCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N2O2S2/c1-13-6-7-14(2)19-18(13)22-20(26-19)21-17(23)5-4-12-25-16-10-8-15(24-3)9-11-16/h6-11H,4-5,12H2,1-3H3,(H,21,22,23)