N-(2-butylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dimethoxy-benzamide

Systemtic Name: N-(2-butylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dimethoxy-benzamide Openeye Name: N-(2-butylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dimethoxy-benzamide CAS Name: N-[2-(butylthio)-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide IUPAC Name: N-(2-butylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide Traditional Name: N-[2-(butylthio)-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H22N2O3S2/c1-4-5-10-26-20-22-15-8-7-14(12-18(15)27-20)21-19(23)13-6-9-16(24-2)17(11-13)25-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,23)