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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=NC(=O)CCCSC3=CC=C(C=C3)OC)N2C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=NC(=O)CCCSC3=CC=C(C=C3)OC)N2C

InChI

InChI=1S/C20H22N2O2S2/c1-14-6-4-7-17-19(14)22(2)20(26-17)21-18(23)8-5-13-25-16-11-9-15(24-3)10-12-16/h4,6-7,9-12H,5,8,13H2,1-3H3