N-[1-(4-butan-2-ylphenyl)propyl]-1-chloranyl-benzo[e][1]benzothiole-2-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-chloranyl-benzo[e][1]benzothiole-2-carboxamide Openeye Name: 1-chloro-N-[1-(4-sec-butylphenyl)propyl]benzo[e]benzothiophene-2-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-chloro-2-benzo[e][1]benzothiolecarboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-chlorobenzo[e][1]benzothiole-2-carboxamide Traditional Name: 1-chloro-N-[1-(4-sec-butylphenyl)propyl]benzo[e]benzothiophene-2-carboxamide Formula: C26H26ClNOS MolecularWeight: 436.00874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClNOS/c1-4-16(3)17-10-12-19(13-11-17)21(5-2)28-26(29)25-24(27)23-20-9-7-6-8-18(20)14-15-22(23)30-25/h6-16,21H,4-5H2,1-3H3,(H,28,29)