N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S2/c1-4-28-19-12-8-13-20-22(19)24-23(30-20)26(16-15-25(2)3)21(27)14-9-17-29-18-10-6-5-7-11-18/h5-8,10-13H,4,9,14-17H2,1-3H3