N-(4-butylphenyl)-1-chloranyl-benzo[e][1]benzothiole-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C23H20ClNOS/c1-2-3-6-15-9-12-17(13-10-15)25-23(26)22-21(24)20-18-8-5-4-7-16(18)11-14-19(20)27-22/h4-5,7-14H,2-3,6H2,1H3,(H,25,26)