N-[(E)-(3,5-dimethoxycyclohexa-1,5-dien-1-yl)methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-(3,5-dimethoxycyclohexa-1,5-dien-1-yl)methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-(3,5-dimethoxycyclohexa-1,5-dien-1-yl)methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-(3,5-dimethoxy-1-cyclohexa-1,5-dienyl)methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-(3,5-dimethoxycyclohexa-1,5-dien-1-yl)methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-(3,5-dimethoxycyclohexa-1,5-dien-1-yl)methyleneamino]amine Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1CC(=CC(=C1)/C=N/NC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C16H17N3O2S/c1-20-12-7-11(8-13(9-12)21-2)10-17-19-16-18-14-5-3-4-6-15(14)22-16/h3-8,10,12H,9H2,1-2H3,(H,18,19)/b17-10+