N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: N-(3-allyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-benzylsulfanyl-acetamide CAS Name: N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: N-(3-allyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(benzylthio)acetamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CC=C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CC=C)OC

InChI

InChI=1S/C21H22N2O3S2/c1-4-10-23-16-11-17(25-2)18(26-3)12-19(16)28-21(23)22-20(24)14-27-13-15-8-6-5-7-9-15/h4-9,11-12H,1,10,13-14H2,2-3H3