1-chloranyl-N-[1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzothiole-2-carboxamide

Systemtic Name: 1-chloranyl-N-[1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzothiole-2-carboxamide Openeye Name: 1-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]benzo[e]benzothiophene-2-carboxamide CAS Name: 1-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-benzo[e][1]benzothiolecarboxamide IUPAC Name: 1-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzothiole-2-carboxamide Traditional Name: 1-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]benzo[e]benzothiophene-2-carboxamide Formula: C23H20ClNO3S MolecularWeight: 425.9278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C23H20ClNO3S/c1-13(15-8-10-17(27-2)18(12-15)28-3)25-23(26)22-21(24)20-16-7-5-4-6-14(16)9-11-19(20)29-22/h4-13H,1-3H3,(H,25,26)