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

Systemtic Name: 1-chloranyl-N-[1-(3,4-dimethylphenyl)ethyl]benzo[e][1]benzothiole-2-carboxamide Openeye Name: 1-chloro-N-[1-(3,4-dimethylphenyl)ethyl]benzo[e]benzothiophene-2-carboxamide CAS Name: 1-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-benzo[e][1]benzothiolecarboxamide IUPAC Name: 1-chloro-N-[1-(3,4-dimethylphenyl)ethyl]benzo[e][1]benzothiole-2-carboxamide Traditional Name: 1-chloro-N-[1-(3,4-dimethylphenyl)ethyl]benzo[e]benzothiophene-2-carboxamide Formula: C23H20ClNOS MolecularWeight: 393.929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl)C

InChI

InChI=1S/C23H20ClNOS/c1-13-8-9-17(12-14(13)2)15(3)25-23(26)22-21(24)20-18-7-5-4-6-16(18)10-11-19(20)27-22/h4-12,15H,1-3H3,(H,25,26)